Merge branch 'development' into clean-MPI-exit

This commit is contained in:
Martin Diehl 2023-01-20 07:08:38 +01:00
commit 68b583e4da
265 changed files with 15152 additions and 6681 deletions

2
.gitattributes vendored
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@ -14,7 +14,7 @@
# ignore files from MSC.Marc in language statistics # ignore files from MSC.Marc in language statistics
install/MarcMentat/** linguist-vendored install/MarcMentat/** linguist-vendored
src/Marc/include/* linguist-vendored src/Marc/include/* linguist-vendored
install/MarcMentat/apply_DAMASK_modifications.py linguist-vendored=false install/MarcMentat/MSC_modifications.py linguist-vendored=false
# ignore reference files for tests in language statistics # ignore reference files for tests in language statistics
python/tests/reference/** linguist-vendored python/tests/reference/** linguist-vendored

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@ -2,7 +2,7 @@ name: Grid and Mesh Solver
on: [push] on: [push]
env: env:
PETSC_VERSION: '3.17.1' PETSC_VERSION: '3.18.2'
HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker
HOMEBREW_NO_AUTO_UPDATE: 'ON' HOMEBREW_NO_AUTO_UPDATE: 'ON'
HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON' HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON'
@ -11,24 +11,23 @@ env:
jobs: jobs:
gcc: gcc_ubuntu:
runs-on: ${{ matrix.os }} runs-on: ubuntu-22.04
strategy: strategy:
matrix: matrix:
os: [ubuntu-latest, macos-latest] gcc_v: [9, 10, 11, 12]
gcc_v: [9, 10, 11] # Version of GCC compilers fail-fast: false
env: env:
GCC_V: ${{ matrix.gcc_v }} GCC_V: ${{ matrix.gcc_v }}
steps: steps:
- uses: actions/checkout@v2 - uses: actions/checkout@v3
- name: GCC - Install (Linux) - name: GCC - Install
if: contains( matrix.os, 'ubuntu')
run: | run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update sudo apt-get update
@ -38,15 +37,9 @@ jobs:
--slave /usr/bin/g++ g++ /usr/bin/g++-${GCC_V} \ --slave /usr/bin/g++ g++ /usr/bin/g++-${GCC_V} \
--slave /usr/bin/gcov gcov /usr/bin/gcov-${GCC_V} --slave /usr/bin/gcov gcov /usr/bin/gcov-${GCC_V}
- name: GCC - Install (macOS)
if: contains( matrix.os, 'macos')
run: |
brew install gcc@${GCC_V} || brew upgrade gcc@${GCC_V} || true
brew link gcc@${GCC_V}
- name: PETSc - Cache download - name: PETSc - Cache download
id: petsc-download id: petsc-download
uses: actions/cache@v2 uses: actions/cache@v3
with: with:
path: download path: download
key: petsc-${{ env.PETSC_VERSION }}.tar.gz key: petsc-${{ env.PETSC_VERSION }}.tar.gz
@ -63,28 +56,19 @@ jobs:
export PETSC_ARCH=gcc${GCC_V} export PETSC_ARCH=gcc${GCC_V}
printenv >> $GITHUB_ENV printenv >> $GITHUB_ENV
- name: PETSc - Cache installation - name: PETSc - Cache Installation
id: petsc-install id: petsc-install
uses: actions/cache@v2 uses: actions/cache@v3
with: with:
path: petsc-${{ env.PETSC_VERSION }} path: petsc-${{ env.PETSC_VERSION }}
key: petsc-${{ env.PETSC_VERSION }}-${{ matrix.os }}-gcc${{ matrix.gcc_v }}-${{ hashFiles('**/petscversion.h') }} key: petsc-${{ env.PETSC_VERSION }}-gcc${{ matrix.gcc_v }}-${{ hashFiles('**/petscversion.h') }}
- name: PETSc - Install (Linux) - name: PETSc - Installation
if: contains( matrix.os, 'ubuntu')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=gfortran --with-cc=gcc --with-cxx=g++ \ ./configure --with-fc=gfortran --with-cc=gcc --with-cxx=g++ \
--download-mpich --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib \ --download-openmpi --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib \
--with-mpi-f90module-visibility=0 --with-mpi-f90module-visibility=1
make all
- name: PETSc - Install (macOS)
if: contains( matrix.os, 'macos')
run: |
cd petsc-${PETSC_VERSION}
./configure --with-fc=gfortran-${GCC_V} --with-cc=gcc-${GCC_V} --with-cxx=g++-${GCC_V} \
--download-openmpi --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all
- name: DAMASK - Compile - name: DAMASK - Compile
@ -100,19 +84,21 @@ jobs:
run: | run: |
./bin/DAMASK_grid -l tensionX.yaml -g 20grains16x16x16.vti -w examples/grid ./bin/DAMASK_grid -l tensionX.yaml -g 20grains16x16x16.vti -w examples/grid
intel: intel:
runs-on: [ubuntu-latest] runs-on: [ubuntu-22.04]
strategy: strategy:
matrix: matrix:
intel_v: [classic, llvm] # Variant of Intel compilers intel_v: [classic, llvm] # Variant of Intel compilers
fail-fast: false
env: env:
INTEL_V: ${{ matrix.intel_v }} INTEL_V: ${{ matrix.intel_v }}
steps: steps:
- uses: actions/checkout@v2 - uses: actions/checkout@v3
- name: Intel - Install - name: Intel - Install
run: | run: |
@ -130,7 +116,7 @@ jobs:
- name: PETSc - Cache download - name: PETSc - Cache download
id: petsc-download id: petsc-download
uses: actions/cache@v2 uses: actions/cache@v3
with: with:
path: download path: download
key: petsc-${{ env.PETSC_VERSION }}.tar.gz key: petsc-${{ env.PETSC_VERSION }}.tar.gz
@ -143,13 +129,15 @@ jobs:
- name: PETSc - Prepare - name: PETSc - Prepare
run: | run: |
tar -xf download/petsc-${PETSC_VERSION}.tar.gz -C . tar -xf download/petsc-${PETSC_VERSION}.tar.gz -C .
sed -i "1718s/if not os.path.isfile(os.path.join(self.packageDir,'configure')):/if True:/g" \
./petsc-${PETSC_VERSION}/config/BuildSystem/config/package.py
export PETSC_DIR=${PWD}/petsc-${PETSC_VERSION} export PETSC_DIR=${PWD}/petsc-${PETSC_VERSION}
export PETSC_ARCH=intel-${INTEL_V} export PETSC_ARCH=intel-${INTEL_V}
printenv >> $GITHUB_ENV printenv >> $GITHUB_ENV
- name: PETSc - Cache installation - name: PETSc - Cache installation
id: petsc-install id: petsc-install
uses: actions/cache@v2 uses: actions/cache@v3
with: with:
path: petsc-${{ env.PETSC_VERSION }} path: petsc-${{ env.PETSC_VERSION }}
key: petsc-${{ env.PETSC_VERSION }}-intel-${{ matrix.intel_v }}-${{ hashFiles('**/petscversion.h') }} key: petsc-${{ env.PETSC_VERSION }}-intel-${{ matrix.intel_v }}-${{ hashFiles('**/petscversion.h') }}
@ -158,7 +146,10 @@ jobs:
if: contains( matrix.intel_v, 'classic') if: contains( matrix.intel_v, 'classic')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=mpiifort --with-cc=mpiicc --with-cxx=mpiicpc \ ./configure \
--with-fc='mpiifort -fc=ifort -diag-disable=10441' \
--with-cc='mpiicc -cc=icc -diag-disable=10441' \
--with-cxx='mpiicpc -cxx=icpc -diag-disable=10441' \
--download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all
@ -166,7 +157,10 @@ jobs:
if: contains( matrix.intel_v, 'llvm') if: contains( matrix.intel_v, 'llvm')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=mpiifort --with-cc="mpiicc -cc=icx" --with-cxx="mpiicpc -cxx=icpx" \ ./configure \
--with-fc='mpiifort -fc=ifx' \
--with-cc='mpiicc -cc=icx' \
--with-cxx='mpiicpc -cxx=icpx' \
--download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all

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@ -9,22 +9,22 @@ jobs:
strategy: strategy:
matrix: matrix:
python-version: ['3.8', '3.9'] #, '3.10'] python-version: ['3.8', '3.9', '3.10']
os: [ubuntu-latest, macos-latest, windows-latest] os: [ubuntu-latest, macos-latest, windows-latest]
fail-fast: false fail-fast: false
steps: steps:
- uses: actions/checkout@v2 - uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }} - name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2 uses: actions/setup-python@v4
with: with:
python-version: ${{ matrix.python-version }} python-version: ${{ matrix.python-version }}
- name: Install dependencies - name: Install dependencies
run: | run: |
python -m pip install --upgrade pip python -m pip install --upgrade pip
pip install pytest pandas scipy h5py vtk matplotlib pyyaml pip install pytest pandas scipy h5py vtk matplotlib pyyaml build
- name: Strip git hash (Unix) - name: Strip git hash (Unix)
if: runner.os != 'Windows' if: runner.os != 'Windows'
@ -39,6 +39,13 @@ jobs:
$VERSION,$_ = $VERSION -Split '-g',2,"simplematch" $VERSION,$_ = $VERSION -Split '-g',2,"simplematch"
$VERSION | Out-File VERSION $VERSION | Out-File VERSION
- name: Build and Install
run: |
cd python
python -m build
python -m pip install dist/*.whl
python -c 'import damask;print(damask.__version__)'
- name: Install and run unit tests (Unix) - name: Install and run unit tests (Unix)
if: runner.os != 'Windows' if: runner.os != 'Windows'
run: | run: |
@ -56,7 +63,7 @@ jobs:
runs-on: ubuntu-latest runs-on: ubuntu-latest
steps: steps:
- uses: actions/checkout@v2 - uses: actions/checkout@v3
- name: Install pytest - name: Install pytest
run: | run: |

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@ -47,9 +47,9 @@ variables:
PETSC_INTELLLVM: "Libraries/PETSc/3.16.3/oneAPI-2022.0.1-IntelMPI-2021.5.0" PETSC_INTELLLVM: "Libraries/PETSc/3.16.3/oneAPI-2022.0.1-IntelMPI-2021.5.0"
PETSC_INTEL: "Libraries/PETSc/3.16.5/Intel-2022.0.1-IntelMPI-2021.5.0" PETSC_INTEL: "Libraries/PETSc/3.16.5/Intel-2022.0.1-IntelMPI-2021.5.0"
# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
MSC: "FEM/MSC/2022.1" MSC: "FEM/MSC/2022.4"
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020" IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
HDF5Marc: "HDF5/1.12.1/Intel-19.1.2" HDF5Marc: "HDF5/1.12.2/Intel-19.1.2"
################################################################################################### ###################################################################################################
@ -63,12 +63,19 @@ create_testroot:
################################################################################################### ###################################################################################################
setuptools:
stage: python
script:
- sed -i 's/-[[:digit:]]*-.*//' VERSION
- cd python
- python3 -m build --wheel --no-isolation
pytest: pytest:
stage: python stage: python
script: script:
- cd python - cd python
- pytest --basetemp ${TESTROOT}/python -v --cov --cov-report=term - pytest --basetemp ${TESTROOT}/python -v --cov
- coverage report --fail-under=90 - coverage report --fail-under=90 --show-missing
mypy: mypy:
stage: python stage: python

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@ -11,7 +11,7 @@ endif()
project(Prerequisites LANGUAGES) project(Prerequisites LANGUAGES)
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig:$ENV{PKG_CONFIG_PATH}") set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig:$ENV{PKG_CONFIG_PATH}")
pkg_check_modules(PETSC_MIN REQUIRED PETSc>=3.12.0 QUIET) #CMake does not support version range pkg_check_modules(PETSC_MIN REQUIRED PETSc>=3.12.0 QUIET) #CMake does not support version range
pkg_check_modules(PETSC REQUIRED PETSc<3.18.0) pkg_check_modules(PETSC REQUIRED PETSc<3.19.0)
pkg_get_variable(CMAKE_Fortran_COMPILER PETSc fcompiler) pkg_get_variable(CMAKE_Fortran_COMPILER PETSc fcompiler)
pkg_get_variable(CMAKE_C_COMPILER PETSc ccompiler) pkg_get_variable(CMAKE_C_COMPILER PETSc ccompiler)
@ -90,14 +90,21 @@ endif()
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake) list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-Intel)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-GNU) include(Compiler-GNU)
set(Fortran_COMPILER_VERSION_MIN 9.1)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
include(Compiler-Intel)
set(Fortran_COMPILER_VERSION_MIN 19)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
include(Compiler-IntelLLVM) include(Compiler-IntelLLVM)
set(Fortran_COMPILER_VERSION_MIN 19)
else() else()
message(FATAL_ERROR "Compiler type(CMAKE_Fortran_COMPILER_ID) not recognized") message(FATAL_ERROR "Compiler '${CMAKE_Fortran_COMPILER_ID}' not supported")
endif()
if(CMAKE_Fortran_COMPILER_VERSION VERSION_LESS Fortran_COMPILER_VERSION_MIN)
message(FATAL_ERROR "Version '${CMAKE_Fortran_COMPILER_VERSION}' of '${CMAKE_Fortran_COMPILER_ID}' is not supported")
endif() endif()
file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?") file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?")

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@ -1,4 +1,4 @@
Copyright 2011-2022 Max-Planck-Institut für Eisenforschung GmbH Copyright 2011-2023 Max-Planck-Institut für Eisenforschung GmbH
DAMASK is free software: you can redistribute it and/or modify DAMASK is free software: you can redistribute it and/or modify
it under the terms of the GNU Affero General Public License as it under the terms of the GNU Affero General Public License as

@ -1 +1 @@
Subproject commit a8bd47ad55125b477e6c03277ee38ce3998a66ca Subproject commit 547bfe56d67cba358a7bb9582f2f7c0e344befd8

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@ -1 +1 @@
3.0.0-alpha6-552-g938e8bd70 3.0.0-alpha7-307-g6ee31e2ab

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@ -29,8 +29,8 @@ set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp") set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor # preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz") set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
# flush underflow to zero, automatically set if -O[1,2,3] # disable flush underflow to zero, will be set if -O[1,2,3]
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable") set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ... # disables warnings ...
@ -95,8 +95,8 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
# ... for uninitialized variables. # ... for uninitialized variables.
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv") set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
# ... initializes stack local variables to an unusual value to aid error detection # ... initializes stack local variables to an unusual value to aid error detection
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0") set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0 -ftz")
# ... capture all floating-point exceptions, sets -ftz automatically # ... capture all floating-point exceptions, need to overwrite -no-ftz
# disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336 # disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336
#set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn") #set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")

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@ -14,8 +14,8 @@ if (OPTIMIZATION STREQUAL "OFF" OR OPTIMIZATION STREQUAL "DEBUG")
elseif (OPTIMIZATION STREQUAL "DEFENSIVE") elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2") set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE") elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -fp-model fast=2 -xHost") #set (OPTIMIZATION_FLAGS "-ipo -O3 -fp-model fast=2 -xHost") # ifx 2022.0 has problems with YAML types and IPO
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost" set (OPTIMIZATION_FLAGS "-O3 -fp-model fast=2 -xHost")
endif () endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules # -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
@ -29,8 +29,8 @@ set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp") set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor # preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz") set (COMPILE_FLAGS "${COMPILE_FLAGS} -no-ftz")
# flush underflow to zero, automatically set if -O[1,2,3] # disable flush underflow to zero, will be set if -O[1,2,3]
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable") set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ... # disables warnings ...
@ -95,8 +95,8 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
# ... for uninitialized variables. # ... for uninitialized variables.
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv") set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
# ... initializes stack local variables to an unusual value to aid error detection # ... initializes stack local variables to an unusual value to aid error detection
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0") set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0 -ftz")
# ... capture all floating-point exceptions, sets -ftz automatically # ... capture all floating-point exceptions, need to overwrite -no-ftz
# disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336 # disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336
#set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn") #set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")

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@ -1,62 +0,0 @@
type: dislotwin
output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, f_tr]
# Slip
N_sl: [12]
b_sl: [2.56e-10]
Q_sl: [3.5e-19]
p_sl: [0.325]
q_sl: [1.55]
B: [0.001]
i_sl: [30.0]
rho_mob_0: [1.0e+12]
rho_dip_0: [1.0]
v_0: [1.0e+4]
tau_0: [3.5e+8]
D_a: 1.0 # minimum dipole distance / b
Q_cl: 4.5e-19 # Activation energy for climb / J
h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008)
h_tw-sl: [0.0] # ToDo: values not known
# Twin
N_tw: [12]
b_tw: [1.40e-10]
L_tw: 1.8e-7
i_tw: 10.0
t_tw: [5.0e-8]
p_tw: [3.0] # A
h_tw-tw: [0.0, 1.0] # ToDo: values not known
h_sl-tw: [0.0, 1.0, 1.0] # ToDo: values not known
# Transformation
N_tr: [12]
b_tr: [1.40e-10]
L_tr: 1.8e-7
i_tr: 3.0
t_tr: [1.0e-7]
p_tr: [3.0] # B
V_mol: 7.09e-6
Delta_G: 1.33343932e+02
Delta_G,T: 2.56640412
Delta_G,T^2: 1.49524179e-03
h_tr-tr: [1.0, 1.0] # guessing
h_sl-tr: [0.0, 1.0, 1.0] # guessing
# Twin & Transformation
T_ref: 298.15
Gamma_sf: 2.89394017e-02
Gamma_sf,T: 1.22823814e-04
Gamma_sf,T^2: 1.47322968e-07
x_c: 1.0e-9
V_cs: 1.67e-29
a_cF: 3.62e-10
c/a_hP: 1.633
# Slip & Twin & Transformation
D: 2.0e-5

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@ -80,4 +80,4 @@ commercialFEM:
generic: generic:
random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed. random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
residualStiffness: 1.0e-6 # non-zero residual damage. phi_min: 1.0e-6 # non-zero residual damage.

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@ -4,10 +4,11 @@ references:
- R.H. Bogaard et al., - R.H. Bogaard et al.,
Thermochimica Acta 218:373-393, 1993, Thermochimica Acta 218:373-393, 1993,
https://doi.org/10.1016/0040-6031(93)80437-F, https://doi.org/10.1016/0040-6031(93)80437-F,
fit to Fig. 6 (T_min=100K, T_max=1400K) fit to Fig. 6 (T_min=100K, T_max=1200K)
A_11: 2.068e-08 Alpha_11: 14.9e-6
A_11,T: 1.579e-09 Alpha_11,T: 1.838e-08
A_11,T^2: 3.449e-13 Alpha_11,T^2: -2.028e-11
Alpha_11,T^3: 9.173e-15
T_ref: 293.15 T_ref: 293.15

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@ -4,4 +4,4 @@ references:
- https://en.wikipedia.org/wiki/Thermal_expansion, - https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K 293.15K
A_11: 23.1e-6 Alpha_11: 23.1e-6

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@ -4,4 +4,4 @@ references:
- https://en.wikipedia.org/wiki/Thermal_expansion, - https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K 293.15K
A_11: 14.e-6 Alpha_11: 14.e-6

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@ -4,8 +4,8 @@ references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg, - https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fit to image description (Scilab code) fit to image description (Scilab code)
A_11: 12.70371e-6 Alpha_11: 10.2e-6
A_11,T: 7.54e-9 Alpha_11,T: 1.260e-08
A_11,T^2: -1.0e-11 Alpha_11,T^2: -1.000e-11
T_ref: 273.0 T_ref: 293.15

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@ -4,4 +4,4 @@ references:
- https://en.wikipedia.org/wiki/Thermal_expansion, - https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K 293.15K
A_11: 17.e-6 Alpha_11: 17.e-6

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@ -4,4 +4,4 @@ references:
- https://en.wikipedia.org/wiki/Thermal_expansion, - https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K 293.15K
A_11: 11.8e-6 Alpha_11: 11.8e-6

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@ -0,0 +1,16 @@
type: thermalexpansion
references:
- Z. Li and R.C. Bradt,
Journal of the American Ceramic Society 69(12):863-866, 1986,
https://doi.org/10.1111/j.1151-2916.1986.tb07385.x
Alpha_11: 3.27e-6
Alpha_11,T: 3.25e-9
Alpha_11,T^2: -1.36e-12
Alpha_33: 3.18e-6
Alpha_33,T: 2.48e-9
Alpha_33,T^2: -8.51e-13
T_ref: 273.15

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@ -0,0 +1,12 @@
type: thermalexpansion
references:
- Z. Li and R.C. Bradt,
Journal of Materials Science 21:4366-4368, 1986,
https://doi.org/10.1007/BF01106557
Alpha_11: 3.19e-6
Alpha_11,T: 3.60e-9
Alpha_11,T^2: -1.68e-12
T_ref: 273.15

View File

@ -6,12 +6,12 @@ references:
https://doi.org/10.1107/S0365110X62000742, https://doi.org/10.1107/S0365110X62000742,
fit to Tab. 2 (T_min=30ºC, T_max=210ºC) fit to Tab. 2 (T_min=30ºC, T_max=210ºC)
A_11: 1.639e-05 Alpha_11: 16.4e-6
A_11,T: 1.799e-08 Alpha_11,T: 1.799e-08
A_11,T^2: 1.734e-10 Alpha_11,T^2: 1.734e-10
A_33: 3.263e-05 Alpha_33: 32.6e-6
A_33,T: 1.387e-08 Alpha_33,T: 1.387e-08
A_33,T^2: 5.794e-10 Alpha_33,T^2: 5.794e-10
T_ref: 293.15 T_ref: 293.15

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@ -4,4 +4,4 @@ references:
- https://en.wikipedia.org/wiki/Thermal_expansion, - https://en.wikipedia.org/wiki/Thermal_expansion,
293.15K 293.15K
A_11: 4.5e-6 Alpha_11: 4.5e-6

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@ -2,9 +2,9 @@ type: thermalexpansion
references: references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg, - https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fit to image description (Scilab code) fit to Scilab code for generating the image (T_min=100ºC, T_max=400ºC)
A_11: 11.365e-6 Alpha_11: 10.1e-6
A_11,T: 5.0e-9 Alpha_11,T: 5.000e-09
T_ref: 273.0 T_ref: 293.15

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@ -3,21 +3,23 @@ type: Hooke
references: references:
- J.R. Neighbours and G.A. Alers, - J.R. Neighbours and G.A. Alers,
Physical Review 111:707-712, 1958, Physical Review 111:707-712, 1958,
https://doi.org/10.1103/PhysRev.111.707 https://doi.org/10.1103/PhysRev.111.707,
fit to Tab. I (T_min=100K, T_max=300K)
- Y.A. Chang and L. Himmel, - Y.A. Chang and L. Himmel,
Journal of Applied Physics 37:3567-3572, 1966, Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903 https://doi.org/10.1063/1.1708903,
fit to Tab. II (T_min=300K, T_max=800K)
C_11: 122.9e+9 C_11: 124.1e+9
C_11,T: -313.5e+5 C_11,T: -3.148e+7
C_11,T^2: -107.3e+2 C_11,T^2: -6.594e+3
C_12: 91.55e+9 C_12: 93.7e+9
C_12,T: -164.1e+5 C_12,T: -1.657e+7
C_12,T^2: -681.6e+1 C_12,T^2: -4.220e+3
C_44: 42.63e+9 C_44: 46.4e+9
C_44,T: -180.5e+5 C_44,T: -1.775e+7
C_44,T^2: -353.8e+1 C_44,T^2: -1.973e+3
T_ref: 300 T_ref: 293.15

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@ -6,20 +6,20 @@ references:
https://doi.org/10.1063/1.1713309, https://doi.org/10.1063/1.1713309,
fit to Tab. I (T_min=100K, T_max=300K) fit to Tab. I (T_min=100K, T_max=300K)
- D. Gerlich and E.S. Fisher, - D. Gerlich and E.S. Fisher,
Journal of Physics and Chemistry of Solids 30:1197-1205, 1969 Journal of Physics and Chemistry of Solids 30:1197-1205, 1969,
https://doi.org/10.1016/0022-3697(69)90377-1, https://doi.org/10.1016/0022-3697(69)90377-1,
fit to Tab. 2 (T_min=293K, T_max=900K) fit to Tab. 2 (T_min=293K, T_max=900K)
C_11: 106.9e+9 C_11: 106.9e+9
C_11,T: -3.685e+7 C_11,T: -3.691e+7
C_11,T^2: -1.016e+4 C_11,T^2: -9.790e+3
C_12: 60.55e+9 C_12: 60.5e+9
C_12,T: -8.307e+6 C_12,T: -8.412e+6
C_12,T^2: -4.353e+3 C_12,T^2: -3.972e+3
C_44: 28.37e+9 C_44: 28.4e+9
C_44,T: -1.418e+7 C_44,T: -1.413e+7
C_44,T^2: -3.253e+3 C_44,T^2: -3.408e+3
T_ref: 293.15 T_ref: 293.15

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@ -1,11 +1,25 @@
type: Hooke type: Hooke
references: references:
- J.P. Hirth and J. Lothe, - J.R. Neighbours and G.A. Alers,
Theory of Dislocations, 1982, Physical Review 111:707-712, 1958,
John Wiley & Sons, https://doi.org/10.1103/PhysRev.111.707,
page 837 fit to Tab. II (T_min=100K, T_max=300K)
- Y.A. Chang and L. Himmel,
Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903,
fit to Tab. III (T_min=300K, T_max=800K)
C_11: 186.e+9 C_11: 192.7e+9
C_12: 157.e+9 C_11,T: -3.472e+7
C_44: 42.e+9 C_11,T^2: 1.102e+3
C_12: 163.2e+9
C_12,T: -2.607e+7
C_12,T^2: 2.397e+3
C_44: 42.2e+9
C_44,T: -1.172e+7
C_44,T^2: -3.078e+3
T_ref: 293.15

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@ -1,21 +1,25 @@
type: Hooke type: Hooke
references: references:
- W.C. Overton, Jr. and J. Gaffney, - W.C. Overton Jr. and J. Gaffney,
Physical Review 98(4):969-977, 1955, Physical Review 98(4):969-977, 1955,
https://doi.org/10.1103/PhysRev.98.969, https://doi.org/10.1103/PhysRev.98.969,
fit to Tab. I (T_min=100K, T_max=300K) fit to Tab. I (T_min=100K, T_max=300K)
- Y.A. Chang and L. Himmel,
Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903,
fit to Tab. II (T_min=300K, T_max=800K)
C_11: 168.6e+9 C_11: 168.9e+9
C_11,T: -3.779e+7 C_11,T: -3.332e+7
C_11,T^2: -2.536e+4 C_11,T^2: -1.074e+4
C_12: 121.5e+9 C_12: 121.8e+9
C_12,T: -1.632e+7 C_12,T: -1.402e+7
C_12,T^2: -1.116e+4 C_12,T^2: -9.003e+3
C_44: 75.59e+9 C_44: 75.8e+9
C_44,T: -2.912e+7 C_44,T: -2.555e+7
C_44,T^2: -1.669e+4 C_44,T^2: -2.188e+3
T_ref: 293.15 T_ref: 293.15

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@ -6,16 +6,16 @@ references:
https://doi.org/10.1063/1.1661710 https://doi.org/10.1063/1.1661710
fit to Tab. II (T_min=25ºC, T_max=880ºC) fit to Tab. II (T_min=25ºC, T_max=880ºC)
C_11: 232.1e+9 C_11: 232.2e+9
C_11,T: -4.678e+7 C_11,T: -4.683e+7
C_11,T^2: -5.762e+4 C_11,T^2: -5.988e+4
C_12: 135.9e+9 C_12: 136.4e+9
C_12,T: -1.695e+7 C_12,T: -1.970e+7
C_12,T^2: 1.555e+3 C_12,T^2: 3.760e+3
C_44: 117.0e+9 C_44: 117.0e+9
C_44,T: -2.047e+7 C_44,T: -2.015e+7
C_44,T^2: -2.814e+2 C_44,T^2: -7.485e+2
T_ref: 293.15 T_ref: 293.15

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@ -4,18 +4,15 @@ references:
- Wang et al., - Wang et al.,
Materials Science and Engineering:A 674:406-412, 2016, Materials Science and Engineering:A 674:406-412, 2016,
https://doi.org/10.1016/j.msea.2016.08.010, https://doi.org/10.1016/j.msea.2016.08.010,
fitted to Tab. 2 (last 3 rows) fit to Tab. 2 (last 3 rows)
C_11: 243.3e+9 C_11: 243.9e+9
C_11,T: -6.380e+5 C_11,T: -5.410e+7
C_11,T^2: -8.362e+4
C_12: 156.7e+9 C_12: 157.0e+9
C_12,T: 2.091e+7 C_12,T: -9.352e+6
C_12,T^2: -4.675e+4
C_44: 117.8e+9 C_44: 117.9e+9
C_44,T: -3.800e+7 C_44,T: -2.798e+7
C_44,T^2: 1.587e+4
T_ref: 293.15 T_ref: 293.15

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@ -6,23 +6,23 @@ references:
https://doi.org/10.1103/PhysRev.107.972, https://doi.org/10.1103/PhysRev.107.972,
fit to Tab. I (T_min=100K, T_max=300K) fit to Tab. I (T_min=100K, T_max=300K)
C_11: 59.50e+9 C_11: 59.5e+9
C_11,T: -1.930e+7 C_11,T: -1.930e+7
C_11,T^2: -1.215e+4 C_11,T^2: -1.215e+4
C_33: 61.72e+9 C_12: 25.6e+9
C_33,T: -2.175e+7
C_33,T^2: -5.624e+3
C_44: 16.46e+9
C_44,T: -1.006e+7
C_44,T^2: -7.692e+3
C_12: 25.62e+9
C_12,T: -2.216e+6 C_12,T: -2.216e+6
C_12,T^2: -4.138e+3 C_12,T^2: -4.138e+3
C_13: 21.46e+9 C_44: 16.5e+9
C_44,T: -1.006e+7
C_44,T^2: -7.692e+3
C_33: 61.7e+9
C_33,T: -2.175e+7
C_33,T^2: -5.624e+3
C_13: 21.5e+9
C_13,T: -1.921e+6 C_13,T: -1.921e+6
C_13,T^2: -4.283e+3 C_13,T^2: -4.283e+3

View File

@ -7,15 +7,15 @@ references:
fit to Tab. 2 (T_min=100K, T_max=700K) fit to Tab. 2 (T_min=100K, T_max=700K)
C_11: 251.0e+9 C_11: 251.0e+9
C_11,T: -4.998e+7 C_11,T: -4.967e+7
C_11,T^2: -2.952e+4 C_11,T^2: -3.327e+4
C_12: 150.0e+9 C_12: 150.0e+9
C_12,T: -4.269e+6 C_12,T: -3.714e+6
C_12,T^2: -6.429e+3 C_12,T^2: -7.414e+3
C_44: 123.7e+9 C_44: 123.7e+9
C_44,T: -3.618e+7 C_44,T: -3.621e+7
C_44,T^2: -7.024e+3 C_44,T^2: -8.017e+3
T_ref: 293.15 T_ref: 293.15

View File

@ -4,29 +4,24 @@ references:
- J.A. Rayne and B.S. Chandrasekhar, - J.A. Rayne and B.S. Chandrasekhar,
Physical Review 120(5):1658-1663, 1960, Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658, https://doi.org/10.1103/PhysRev.120.1658,
fit to Fig. 2 (T_min=100K, T_max=300K) and Tab. IV (C_13, T_min=77K, T_max=300K) fit to Tab. IV (T_min=77K, T_max=300K)
C_11: 72.90e+9 C_11: 72.6e+9
C_11,T: -4.399e+7 C_11,T: -4.135e+7
C_11,T^2: -2.645e+4
C_12: 59.27e+9 C_12: 59.4e+9
C_12,T: 1.058e+7 C_12,T: 6.726e+6
C_12,T^2: 1.002e+4
C_13: 35.80e+9 C_44: 22.2e+9
C_44,T: -1.870e+7
C_33: 88.8e+9
C_33,T: -5.381e+7
C_13: 35.8e+9
C_13,T: -2.870e+6 C_13,T: -2.870e+6
C_33: 88.78e+9 C_66: 24.1e+9
C_33,T: -5.250e+7 C_66,T: -1.709e+7
C_33,T^2: 3.546e+3
C_44: 22.26e+9
C_44,T: -1.982e+7
C_44,T^2: -8.711e+3
C_66: 24.18e+9
C_66,T: -1.806e+7
C_66,T^2: -4.112e+3
T_ref: 293.15 T_ref: 293.15

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@ -0,0 +1,21 @@
type: Hooke
references:
- F.H. Featherston and J.R. Neighbours,
Physical Review 130(4):1324-1333, 1963,
https://doi.org/10.1103/PhysRev.130.1324,
fit to Tab. II (T_min=100K, T_max=300K)
C_11: 523.6e+9
C_11,T: -7.704e+7
C_11,T^2: -1.562e+5
C_12: 204.6e+9
C_12,T: -2.485e+7
C_12,T^2: -1.182e+5
C_44: 160.7e+9
C_44,T: -1.028e+7
C_44,T^2: 1.291e+4
T_ref: 293.15

View File

@ -4,30 +4,26 @@ references:
- E.S. Fisher and C.J. Renken, - E.S. Fisher and C.J. Renken,
Physical Review 135(2A):A482-A494, 1964, Physical Review 135(2A):A482-A494, 1964,
https://doi.org/10.1103/PhysRev.135.A482, https://doi.org/10.1103/PhysRev.135.A482,
fit to Tab. IV (T_min=150K, T_max=250K) fit to Tab. IV (T_min=77K, T_max=923K)
- H. Ogi et al.,
Acta Materialia 52(7):2075-2080, 2004,
https://doi.org/10.1016/j.actamat.2004.01.002,
fit to Fig. 3 (T_min=300K, T_max=900K)
C_11: 162.6e+9 C_11: 162.5e+9
C_11,T: -6.150e+7 C_11,T: -5.915e+7
C_11,T^2: -5.557e+2 C_11,T^2: 1.156e+4
C_33: 183.3e+9 C_12: 91.8e+9
C_33,T: -1.655e+07 C_12,T: 2.192e+7
C_33,T^2: -1.022e+04 C_12,T^2: -1.621e+4
C_44: 45.80e+9 C_44: 46.8e+9
C_44,T: -2.936e+07 C_44,T: -1.857e+7
C_44,T^2: 7.120e+02 C_44,T^2: -3.745e+3
C_12: 89.97e+9 C_33: 180.6e+9
C_12,T: 2.776e+6 C_33,T: -4.110e+7
C_12,T^2: -2.389e+4 C_33,T^2: 7.330e+3
C_13: 69.53e+9 C_13: 68.9e+9
C_13,T: 1.057e+7 C_13,T: 2.965e+6
C_13,T^2: -2.966e+3 C_13,T^2: -5.767e+3
T_ref: 293.15 T_ref: 293.15

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@ -1,20 +1,18 @@
type: Hooke type: Hooke
references: references:
- F.H. Featherston and J.R. Nieghbours, - F.H. Featherston and J.R. Neighbours,
Physical Review 130(4):1324-1333, Physical Review 130(4):1324-1333, 1963,
https://doi.org/10.1103/PhysRev.130.1324, https://doi.org/10.1103/PhysRev.130.1324,
fit to Tab. III (T_min=100K, T_max=300K) fit to Tab. III (T_min=100K, T_max=300K)
C_11: 523.6e+9 C_11: 524.3e+9
C_11,T: -7.607e+7 C_11,T: -4.794e+07
C_11,T^2: -1.551e+5
C_12: 205.1e+9 C_12: 205.1e+9
C_12,T: -2.843e+6 C_12,T: -2.836e+06
C_44: 160.8e+9 C_44: 160.7e+9
C_44,T: -1.057e+7 C_44,T: -1.269e+07
C_44,T^2: 9.933e+3
T_ref: 293.15 T_ref: 293.15

View File

@ -26,7 +26,7 @@ h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
w: [2.992e-09] # 11b w: [2.992e-09] # 11b
# values in Cereceda et al. are high, using parameters from Gröger et al. # values in Cereceda et al. are high, using parameters from Gröger et al.
a_nonSchmid: [0.0, 0.56, 0.75] # Table 2 a_nonSchmid: [0.0, 0.56, 0.75] # Tab. 2
# (almost) no annhilation, adjustment needed for simulations beyond the yield point # (almost) no annhilation, adjustment needed for simulations beyond the yield point
i_sl: [1] # c, eq. (25) i_sl: [1] # c, eq. (25)

View File

@ -13,7 +13,7 @@ output: [rho_dip, rho_mob]
N_sl: [12, 12] N_sl: [12, 12]
b_sl: [2.49e-10, 2.49e-10] b_sl: [2.49e-10, 2.49e-10]
rho_mob_0: [2.81e12, 2.8e+12] rho_mob_0: [2.81e+12, 2.8e+12]
rho_dip_0: [1.0, 1.0] # not given rho_dip_0: [1.0, 1.0] # not given
v_0: [1.4e+3, 1.4e+3] v_0: [1.4e+3, 1.4e+3]
Q_sl: [1.57e-19, 1.57e-19] # Delta_F Q_sl: [1.57e-19, 1.57e-19] # Delta_F

View File

@ -0,0 +1,72 @@
type: dislotwin
references:
- S.L. Wong et al.,
Acta Materialia 118:140-151, 2016,
https://doi.org/10.1016/j.actamat.2016.07.032
- K. Sedighiani et al.,
Mechanics of Materials, 164:104117, 2022,
https://doi.org/10.1016/j.mechmat.2021.104117
- L. Kubin et al.,
Acta Materialia 56:6040-6049,
https://doi.org/10.1016/j.actamat.2008.08.012
output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, f_tr]
# Glide
N_sl: [12]
b_sl: [2.56e-10] # a/sqrt(2)
Q_sl: [3.5e-19]
p_sl: [0.325]
q_sl: [1.55]
B: [0.001]
i_sl: [30.0]
v_0: [1.4e+3]
tau_0: [5.5e+8] # adjusted
D_a: 2.0
Q_cl: 3.0e-19
rho_mob_0: [5.0e+10]
rho_dip_0: [5.0e+10]
h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122]
# Twin
N_tw: [12]
b_tw: [1.47e-10] # a_cF/sqrt(6)
L_tw: 1.91e-7 # 1300 *b_tw
i_tw: 10.0
t_tw: [5.0e-8]
p_tw: [7] # A, adjusted
h_tw-tw: [1.0, 1.0]
h_sl-tw: [1.0, 1.0, 1.0]
# Transformation
N_tr: [12]
b_tr: [1.47e-10] # a_cF/sqrt(6)
L_tr: 2.21e-7 # 1500 *b_tr
i_tr: 10.0 # adjusted
t_tr: [1.0e-7]
p_tr: [4] # B, adjusted
V_mol: 7.09e-6
c/a_hP: 1.633
Delta_G: 1.2055e+2
Delta_G,T: 2.5515
Delta_G,T^2: 1.4952e-3
h_tr-tr: [1.0, 1.0]
h_sl-tr: [1.5, 1.5, 1.5]
# Twin & Transformation
T_ref: 293.15
Gamma_sf: 2.833e-2
Gamma_sf,T: 1.214e-4
Gamma_sf,T^2: 1.473e-7
x_c: 1.0e-9
V_cs: 1.67e-29
# Slip & Twin & Transformation
D: 5.0e-5

View File

@ -40,7 +40,7 @@ nu_a: 50.e+9
B: 1.e-2 B: 1.e-2
f_ed: 1.0 # k_3 f_ed: 1.0 # k_3
h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4 h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Tab. 3.4
chi_GB: 0.0 # full blocking at GB chi_GB: 0.0 # full blocking at GB
chi_surface: 1.0 # no blocking at surface chi_surface: 1.0 # no blocking at surface

View File

@ -40,7 +40,7 @@ nu_a: 50.e+9
B: 1.e-3 B: 1.e-3
f_ed: 0.01 # k_3 f_ed: 0.01 # k_3
h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4 h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Tab. 3.4
chi_GB: 0.0 # full blocking at GB chi_GB: 0.0 # full blocking at GB
chi_surface: 1.0 # no blocking at surface chi_surface: 1.0 # no blocking at surface

View File

@ -7,9 +7,11 @@ references:
output: [T] output: [T]
K_11: 2.380e+2 K_11: 2.374e+2
K_11,T: 2.068e-3 K_11,T: 8.952e-3
K_11,T^2: -7.765e-5 K_11,T^2: 2.650e-5
K_11,T^3: -5.687e-7
K_11,T^4: 6.407e-10
T_ref: 293.15 T_ref: 293.15

View File

@ -2,14 +2,16 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K) fit to Tab. 2.4.1 (RRR=300, T_min=150K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/copper.htm - https://www.mit.edu/~6.777/matprops/copper.htm
output: [T] output: [T]
K_11: 4.039e+2 K_11: 4.005e+2
K_11,T: -8.119e-2 K_11,T: -1.075e-1
K_11,T^2: 1.454e-5 K_11,T^2: 3.293e-4
K_11,T^3: -7.533e-7
K_11,T^4: 5.223e-10
T_ref: 293.15 T_ref: 293.15

View File

@ -2,14 +2,15 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 4.4.1 (RRR=300, T_min=150K, T_max=1000K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T] output: [T]
K_11: 8.055e+1 K_11: 8.034e+1
K_11,T: -1.051e-1 K_11,T: -1.216e-1
K_11,T^2: 5.464e-5 K_11,T^2: 1.327e-4
K_11,T^3: -7.993e-8
T_ref: 293.15 T_ref: 293.15

View File

@ -2,14 +2,16 @@ references:
- Y.S. Touloukian et al., - Y.S. Touloukian et al.,
TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys, TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys,
IFI/Plenum, 1970, IFI/Plenum, 1970,
fit to Tab. 35R (T_min=150K, T_max=500K) fit to Tab. 35R (T_min=80K, T_max=500K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T] output: [T]
K_11: 9.132e+1 K_11: 9.311e+1
K_11,T: -1.525e-1 K_11,T: -8.719e-2
K_11,T^2: 3.053e-4 K_11,T^2: -3.793e-4
K_11,T^3: -4.003e-6
K_11,T^4: 2.676e-8
T_ref: 293.15 T_ref: 293.15

View File

@ -2,18 +2,22 @@ references:
- Y.S. Touloukian et al., - Y.S. Touloukian et al.,
TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys, TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys,
IFI/Plenum, 1970, IFI/Plenum, 1970,
fit to Tab. 61R (T_min=100K, T_max=400K) fit to Tab. 61R (T_min=80K, T_max=500K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T] output: [T]
K_11: 7.414e+1 K_11: 7.495e+1
K_11,T: -6.465e-2 K_11,T: -5.646e-2
K_11,T^2: 2.066e-4 K_11,T^2: 1.420e-5
K_11,T^3: -5.390e-7
K_11,T^4: 4.012e-9
K_33: 5.147e+1 K_33: 5.204e+1
K_33,T: -4.506e-2 K_33,T: -3.940e-2
K_33,T^2: 1.435e-4 K_33,T^2: 7.037e-6
K_33,T^3: -3.738e-7
K_33,T^4: 2.873e-9
T_ref: 293.15 T_ref: 293.15

View File

@ -2,14 +2,16 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 5.4.1 (RRR=300, T_min=100K, T_max=2000K)
- https://www.mit.edu/~6.777/matprops/tungsten.htm - https://www.mit.edu/~6.777/matprops/tungsten.htm
output: [T] output: [T]
K_11: 1.758e+2 K_11: 1.750e+2
K_11,T: -1.605e-1 K_11,T: -1.809e-1
K_11,T^2: 1.160e-4 K_11,T^2: 2.257e-4
K_11,T^3: -1.395e-7
K_11,T^4: 3.192e-11
T_ref: 293.15 T_ref: 293.15

View File

@ -1,4 +1,4 @@
type: externalheat type: externalheat
f_T: [1, 1, 0, 0] f: [1, 1, 0, 0]
t_n: [0, 500, 500.001, 1000] t: [0, 500, 500.001, 1000]

View File

@ -46,7 +46,7 @@
+ +
+# determine DAMASK version +# determine DAMASK version
+if test -n "$DAMASK_USER"; then +if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/.. + DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION + read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'" + DAMASKVERSION="'"$DAMASKVERSION"'"
+else +else

View File

@ -251,7 +251,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -251,7 +251,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -251,7 +251,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -66,7 +66,7 @@
+ label { + label {
+ position -32 +6 + position -32 +6
+ size 12 6 + size 12 6
+ text "O2 / OpenMP" + text "O3 / OpenMP"
+ border_width 1 + border_width 1
+ border_color black + border_color black
+ } + }

View File

@ -46,7 +46,7 @@
+ +
+# determine DAMASK version +# determine DAMASK version
+if test -n "$DAMASK_USER"; then +if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/.. + DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION + read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'" + DAMASKVERSION="'"$DAMASKVERSION"'"
+else +else

View File

@ -284,7 +284,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -284,7 +284,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -284,7 +284,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -65,7 +65,7 @@
+ label { + label {
+ position -32 +6 + position -32 +6
+ size 12 6 + size 12 6
+ text "O2 / OpenMP" + text "O3 / OpenMP"
+ border_width 1 + border_width 1
+ border_color black + border_color black
+ } + }

View File

@ -50,7 +50,7 @@
+# determine DAMASK version +# determine DAMASK version
+if test -n "$DAMASK_USER"; then +if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/.. + DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION + read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'" + DAMASKVERSION="'"$DAMASKVERSION"'"
+else +else

View File

@ -283,7 +283,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -283,7 +283,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -301,7 +301,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"

View File

@ -67,7 +67,7 @@
+ label { + label {
+ position -32 +6 + position -32 +6
+ size 12 6 + size 12 6
+ text "O2 / OpenMP" + text "O3 / OpenMP"
+ border_width 1 + border_width 1
+ border_color black + border_color black
+ } + }

View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

View File

@ -32,7 +32,7 @@
$LOAD ${program} $DIR/lib/main.o\ $LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@ echo "program: $program" @@ -33,9 +42,13 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -166,6 +166,11 @@ if test -n "$MSCCOSIM_HOME"; then @@ -166,6 +166,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib" MARC_COSIM_LIB="$MSCCOSIM_HOME/Cosim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi fi
@ -16,17 +16,7 @@
# AEM # AEM
if test "$MARCDLLOUTDIR" = ""; then if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB" DLLOUTDIR="$MARC_LIB"
@@ -477,8 +486,8 @@ if test "$MARC_INTEGER_SIZE" = "i4" ; then @@ -594,7 +603,7 @@
I8DEFINES=
I8CDEFINES=
else
- I8FFLAGS="-i8"
+ I8FFLAGS="-i8 -integer-size 64"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
fi
@@ -594,7 +605,7 @@ then
PROFILE=" $PROFILE -pg" PROFILE=" $PROFILE -pg"
fi fi
@ -35,7 +25,7 @@
if test "$MTHREAD" = "OPENMP" if test "$MTHREAD" = "OPENMP"
then then
FORT_OPT=" $FORT_OPT -qopenmp" FORT_OPT=" $FORT_OPT -qopenmp"
@@ -607,7 +616,7 @@ else @@ -607,7 +616,7 @@
FORT_OPT=" $FORT_OPT -save -zero" FORT_OPT=" $FORT_OPT -save -zero"
fi fi
if test "$MARCHDF_HDF" = "HDF"; then if test "$MARCHDF_HDF" = "HDF"; then
@ -44,13 +34,13 @@
fi fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -621,6 +630,29 @@ FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ @@ -621,6 +630,29 @@
# for compiling free form f90 files. high opt, integer(4) # for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3" FORTF90="$FCOMP -c -O3"
+# determine DAMASK version +# determine DAMASK version
+if test -n "$DAMASK_USER"; then +if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/.. + DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION + read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'" + DAMASKVERSION="'"$DAMASKVERSION"'"
+else +else
@ -74,7 +64,7 @@
if test "$MARCDEBUG" = "ON" if test "$MARCDEBUG" = "ON"
then then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -778,7 +806,7 @@ SECLIBS="-L$MARC_LIB -llapi" @@ -778,7 +810,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \ SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \ -L$MARC_MKL \
@ -83,21 +73,3 @@
SOLVERLIBS_DLL=${SOLVERLIBS} SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1 if test "$AEM_DLL" -eq 1
@@ -802,7 +830,7 @@ then
OPENSSL=NONE
fi
-SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib $MARC_RPC_LIB"
+SYSLIBS=" $OPENMP -lpthread -cxxlib $MARC_RPC_LIB"
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
# if test $MPITYPE = intelmpi
@@ -812,7 +840,7 @@ SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib $MARC_RPC_LIB"
# fi
if test $MPITYPE = intelmpi
then
- SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib $MARC_RPC_LIB"
+ SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib $MARC_RPC_LIB"
fi
if test "$ZLIB" = "ZLIB"; then

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -302,7 +302,23 @@ fi @@ -302,7 +302,23 @@
. "$DIR/getarch" . "$DIR/getarch"
@ -24,7 +24,7 @@
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -33,16 +33,7 @@
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -99,39 +90,7 @@
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
- ;;
+ ;;
-at | -AT)
att=$value
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -147,16 +106,7 @@
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -165,7 +115,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1564,7 +1549,7 @@ Program name : $prog @@ -1564,7 +1549,7 @@
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -174,7 +124,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT" @@ -1687,7 +1672,7 @@
;; ;;
esac esac
fi fi
@ -183,7 +133,7 @@
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -209,16 +159,13 @@
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -235,8 +182,6 @@
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -245,7 +190,7 @@
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -260,7 +205,7 @@
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -269,7 +214,7 @@
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -283,7 +228,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"
@ -319,21 +264,15 @@
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -343,7 +282,7 @@
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -352,7 +291,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -361,7 +300,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -386,7 +325,7 @@
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -432,21 +371,15 @@
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -456,69 +389,7 @@
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -527,7 +398,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -536,7 +407,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -560,7 +431,7 @@
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -604,7 +475,7 @@
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -612,12 +483,7 @@
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -628,78 +494,7 @@
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -302,7 +302,23 @@ fi @@ -302,7 +302,23 @@
. "$DIR/getarch" . "$DIR/getarch"
@ -24,7 +24,7 @@
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -33,16 +33,7 @@
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -99,39 +90,7 @@
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
- ;;
+ ;;
-at | -AT)
att=$value
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -147,16 +106,7 @@
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -165,7 +115,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1564,7 +1549,7 @@ Program name : $prog @@ -1564,7 +1549,7 @@
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -174,7 +124,7 @@
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT" @@ -1687,7 +1672,7 @@
;; ;;
esac esac
fi fi
@ -183,7 +133,7 @@
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -209,16 +159,13 @@
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -235,8 +182,6 @@
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -245,7 +190,7 @@
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -260,7 +205,7 @@
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -269,7 +214,7 @@
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -283,7 +228,7 @@
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"
@ -319,21 +264,15 @@
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -343,7 +282,7 @@
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -352,7 +291,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -361,7 +300,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -386,7 +325,7 @@
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -432,21 +371,15 @@
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -456,69 +389,7 @@
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -527,7 +398,7 @@
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -536,7 +407,7 @@
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
@ -560,7 +431,7 @@
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -604,7 +475,7 @@
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -612,12 +483,7 @@
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -628,78 +494,7 @@
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

View File

@ -1,8 +1,6 @@
diff --git "a/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_marc.original" "b/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_damask_mp" ---
index 88a3027..85beabe 100644 +++
--- "a/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_marc.original" @@ -302,7 +302,23 @@
+++ "b/C:\\Users\\f.roters\\Documents\\Forschung\\FEM\\Kristallplastizit\303\244t\\Programme\\Userroutinen\\Marc\\Marc_mods\\2022.1\\Marc_tools\\run_damask_mp"
@@ -302,7 +302,23 @@ fi
. "$DIR/getarch" . "$DIR/getarch"
@ -26,7 +24,7 @@ index 88a3027..85beabe 100644
# #
# #
@@ -405,7 +421,7 @@ sid= @@ -405,7 +421,7 @@
did= did=
vid= vid=
user= user=
@ -35,16 +33,7 @@ index 88a3027..85beabe 100644
objs= objs=
qid=background qid=background
cpu= cpu=
@@ -573,7 +589,7 @@ do @@ -676,50 +692,19 @@
justlist=yes
;;
-fe* | -FE*)
- feature=$value
+ feature=$value
;;
-pr* | -PR*)
@@ -676,50 +692,19 @@ do
esac esac
;; ;;
-u* | -U*) -u* | -U*)
@ -101,39 +90,7 @@ index 88a3027..85beabe 100644
;; ;;
-obj | -OBJ) -obj | -OBJ)
objs="$value" objs="$value"
@@ -739,19 +724,19 @@ do @@ -1207,12 +1192,12 @@
;;
esac
;;
- -dl | -DL)
- case $value in
- y* | Y*)
- deletelog=yes
- ;;
- n* | N*)
- deletelog=no
- ;;
- *)
- ;;
- esac
+ -dl | -DL)
+ case $value in
+ y* | Y*)
+ deletelog=yes
+ ;;
+ n* | N*)
+ deletelog=no
+ ;;
+ *)
+ ;;
+ esac
- ;;
+ ;;
-at | -AT)
att=$value
;;
@@ -1207,12 +1192,12 @@ post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 or $DIRPID/$pid.h5 not accessible
fi fi
fi fi
fi fi
@ -149,16 +106,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
if test "$objs" if test "$objs"
@@ -1386,7 +1371,7 @@ else @@ -1531,7 +1516,7 @@
else
error="$error
job id required"
- fi
+fi
fi
case $qid in
@@ -1531,7 +1516,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -167,16 +115,7 @@ index 88a3027..85beabe 100644
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1548,8 +1533,6 @@ GPGPU option : $gpuids @@ -1564,7 +1549,7 @@
Host file name : $host" > $jid.log
if test "$iprintsimufact" = true ; then
echo "DDM with ARC Mapper : $ddm_arc" >> $jid.log
- echo "Mapper directory : $MESHERDIR" >> $jid.log
- echo "Meshing directory : $MESHERDIR" >> $jid.log
fi
echo \
"Message passing type : $itree
@@ -1564,7 +1547,7 @@ Program name : $prog
Marc shared lib : $progdll Marc shared lib : $progdll
Version type : $mode Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info Job ID : $DIRJID/$jid$extra_job_info
@ -185,16 +124,7 @@ index 88a3027..85beabe 100644
User objects/libs : $objs User objects/libs : $objs
Restart file job ID : $rid Restart file job ID : $rid
Substructure file ID : $sid Substructure file ID : $sid
@@ -1579,6 +1562,8 @@ Solver processes : $nsolverprint @@ -1687,7 +1672,7 @@
Solver threads : $ntsprint"
if test "$iprintsimufact" = true ; then
echo "DDM with ARC Mapper : $ddm_arc"
+ echo "Mapper directory : $MESHERDIR" >> $jid.log
+ echo "Meshing directory : $MESHERDIR" >> $jid.log
fi
echo \
"GPGPU option : $gpuids
@@ -1687,7 +1672,7 @@ Program name ($prog)? $ECHOTXT"
;; ;;
esac esac
fi fi
@ -203,7 +133,7 @@ index 88a3027..85beabe 100644
read value read value
if test "$value" if test "$value"
then then
@@ -1696,50 +1681,19 @@ Program name ($prog)? $ECHOTXT" @@ -1696,50 +1681,19 @@
user= user=
;; ;;
*) *)
@ -229,16 +159,13 @@ index 88a3027..85beabe 100644
- fi - fi
+ user=$value + user=$value
case $user in case $user in
- \/*) \/*)
- ;; ;;
- *) *)
+ \/*)
+ ;;
+ *)
user=`pwd`/$user user=`pwd`/$user
- usersubname=`pwd`/$usersubname - usersubname=`pwd`/$usersubname
- ;; ;;
- esac esac
- if test ! -f $usersubname - if test ! -f $usersubname
- then - then
- if test -f $usersubname.f - if test -f $usersubname.f
@ -255,8 +182,6 @@ index 88a3027..85beabe 100644
- usersubname=$usersubname.F90 - usersubname=$usersubname.F90
- fi - fi
- fi - fi
+ ;;
+ esac
+ usernoext=$user + usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` + usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
@ -265,7 +190,7 @@ index 88a3027..85beabe 100644
;; ;;
esac esac
fi fi
@@ -2274,11 +2228,12 @@ fi @@ -2274,11 +2228,12 @@
# #
# user subroutine used # user subroutine used
# #
@ -280,7 +205,7 @@ index 88a3027..85beabe 100644
case $program in case $program in
\/* | \.\/*) \/* | \.\/*)
bd= bd=
@@ -2391,7 +2346,7 @@ fi @@ -2391,7 +2346,7 @@
fi fi
if test "$user" if test "$user"
then then
@ -289,7 +214,7 @@ index 88a3027..85beabe 100644
usersub=1 usersub=1
fi fi
export execpath export execpath
@@ -3274,44 +3229,27 @@ then @@ -3274,44 +3229,27 @@
echo echo
if test "$user" if test "$user"
then then
@ -303,7 +228,7 @@ index 88a3027..85beabe 100644
- usersub=$usersubname - usersub=$usersubname
- fi - fi
- -
+ userobj=$usermoext.o + userobj=$usernoext.o
fi fi
cat > $jid.runmarcscript << END4 cat > $jid.runmarcscript << END4
if test "$user" if test "$user"
@ -315,7 +240,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -324,7 +249,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -339,21 +264,15 @@ index 88a3027..85beabe 100644
fi fi
@@ -3331,10 +3269,11 @@ then @@ -3331,6 +3269,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3344,6 +3283,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -3344,6 +3283,9 @@ else
prgsav=yes prgsav=yes
fi fi
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -363,7 +282,7 @@ index 88a3027..85beabe 100644
# #
# run marc # run marc
@@ -3390,7 +3332,7 @@ if test $dllrun -eq 0; then @@ -3390,7 +3332,7 @@
fi fi
else else
if test $cpdll = yes; then if test $cpdll = yes; then
@ -372,7 +291,7 @@ index 88a3027..85beabe 100644
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes if test $rmdll = yes
@@ -3556,7 +3498,7 @@ then @@ -3556,7 +3498,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -381,12 +300,12 @@ index 88a3027..85beabe 100644
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3511,21 @@ then @@ -3569,21 +3511,21 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there # check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line" if test "$line"
@ -406,7 +325,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
fi fi
@@ -3593,39 +3535,27 @@ then @@ -3593,39 +3535,27 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -426,7 +345,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -436,7 +355,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -452,21 +371,15 @@ index 88a3027..85beabe 100644
fi # if test $user fi # if test $user
@@ -3645,10 +3575,11 @@ then @@ -3645,6 +3575,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
- $SFLIB \
+ $DAMASK \ + $DAMASK \
+ $SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -3686,6 +3617,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
echo " $PRODUCT Exit number 3"
@@ -3686,6 +3617,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -476,69 +389,7 @@ index 88a3027..85beabe 100644
# #
# run marc # run marc
@@ -3744,42 +3678,42 @@ then @@ -3779,7 +3713,7 @@
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then
@ -547,7 +398,7 @@ index 88a3027..85beabe 100644
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi fi
if test $rmdll = yes;then if test $rmdll = yes;then
@@ -3904,7 +3838,7 @@ then @@ -3904,7 +3838,7 @@
# first copy over the user sub if local directories # first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local" if test ${dirstatus[$counter]} = "local"
then then
@ -556,12 +407,12 @@ index 88a3027..85beabe 100644
fi fi
# do the compilation on the other machine # do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared" if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3851,20 @@ then @@ -3917,20 +3851,20 @@
remoteuser=$DIR1/`$BASENAME $user` remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null $RSH $i /bin/rm $remoteprog 2> /dev/null
echo echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog + $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there # check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line" if test "$line"
@ -580,7 +431,7 @@ index 88a3027..85beabe 100644
fi fi
fi fi
fi fi
@@ -3940,37 +3874,25 @@ then @@ -3940,37 +3874,25 @@
if test "$userhost" if test "$userhost"
then then
echo echo
@ -600,7 +451,7 @@ index 88a3027..85beabe 100644
if test $MACHINENAME = "CRAY" if test $MACHINENAME = "CRAY"
then then
- $FORTRAN $usersub || \ - $FORTRAN $usersub || \
+ $DFORTRANMP $user || \ + $DFORTHIGHMP $user || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -609,7 +460,7 @@ index 88a3027..85beabe 100644
/bin/rm $program 2>/dev/null /bin/rm $program 2>/dev/null
else else
- $FORTRAN $usersub -o $userobj || \ - $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \ + $DFORTHIGHMP $user -o $userobj || \
{ {
- echo "$0: compile failed for $user.f" - echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user" + echo "$0: compile failed for $user"
@ -624,7 +475,7 @@ index 88a3027..85beabe 100644
fi # if test $user fi # if test $user
@@ -3990,10 +3912,11 @@ then @@ -3990,6 +3912,7 @@
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
@ -632,12 +483,7 @@ index 88a3027..85beabe 100644
$SFLIB \ $SFLIB \
$OPENSSL_LIB \ $OPENSSL_LIB \
$SYSLIBS \ $SYSLIBS \
- $SECLIBS || \ @@ -4030,7 +3953,9 @@
+ $SECLIBS || \
{
echo "$0: link failed for ${user:+$userobj }$objs"
exit 1
@@ -4030,7 +3953,9 @@ else # if test $link
prgsav=yes prgsav=yes
fi # if test $link fi # if test $link
/bin/rm $userobj 2>/dev/null /bin/rm $userobj 2>/dev/null
@ -648,78 +494,7 @@ index 88a3027..85beabe 100644
# done if no job id given # done if no job id given
if test -z "$jid" if test -z "$jid"
then then
@@ -4070,7 +3995,7 @@ if test $ddm_arc -gt 0; then @@ -4149,7 +4074,7 @@
RUN_JOB="$BINDIR/exeddm $RUN_JOB -ddm $ddm_arc "
fi
-$RUN_JOB
+ $RUN_JOB
if test $nprocd -gt 1
then
@@ -4114,42 +4039,42 @@ then
counter=0
if test -f "$host_filt"
then
- for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
- do
- ibase=${i%%.*}
- if test $ibase != $thishost
+ for i in `$AWK -v n=$numfield '{print $n}' $host_filt`
+ do
+ ibase=${i%%.*}
+ if test $ibase != $thishost
+ then
+ counter=$((counter+1))
+ DIR1=$DIRJOB
+ line=`grep -v '^#' $userhost | grep "^$ibase "`
+ workdir=`echo $line | $AWK '{print $3}'`
+ if test -n "$workdir"
then
- counter=$((counter+1))
- DIR1=$DIRJOB
- line=`grep -v '^#' $userhost | grep "^$ibase "`
- workdir=`echo $line | $AWK '{print $3}'`
- if test -n "$workdir"
- then
- DIR1=$workdir
- fi
- # if an incompatible host uses shared directory,
- # then the root machine deletes the executable
- if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
- then
- hname=_$ibase
- /bin/rm ${execname}$hname
- fi
- # if local directory used, the remote machine
- # deletes the executable
- if test ${dirstatus[$counter]} = "local"
- then
- $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
- fi
+ DIR1=$workdir
fi
- done
- fi
+ # if an incompatible host uses shared directory,
+ # then the root machine deletes the executable
+ if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no"
+ then
+ hname=_$ibase
+ /bin/rm ${execname}$hname
+ fi
+ # if local directory used, the remote machine
+ # deletes the executable
+ if test ${dirstatus[$counter]} = "local"
+ then
+ $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null
+ fi
+ fi
+ done
fi
fi
fi
+fi
else else
#dllrun >0 #dllrun >0
if test $cpdll = yes; then if test $cpdll = yes; then

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -63,10 +64,10 @@ doe_nparallel=$6 @@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm" slv="-iam sfm"
fi fi
@ -13,7 +13,7 @@
slv="-iam datfit" slv="-iam datfit"
fi fi
@@ -91,6 +92,7 @@ if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then @@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y" srcfile="-u $srcfile -save y"
;; ;;
runsaved) runsaved)
@ -21,7 +21,7 @@
srcfile="-prog $srcfile" srcfile="-prog $srcfile"
;; ;;
esac esac
@@ -189,12 +191,12 @@ unset PYTHONHOME @@ -189,12 +190,12 @@
unset PYTHONPATH unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job if [ "$doe_first" = "-" ]; then # submit of regular Marc job

View File

@ -1,6 +1,6 @@
--- ---
+++ +++
@@ -261,11 +261,18 @@ popmenu job_run_popmenu { @@ -261,12 +261,19 @@
} }
button { button {
position +25 = position +25 =
@ -10,21 +10,21 @@
help "job_run#Job Submission And Control" help "job_run#Job Submission And Control"
popmenu job_submit_adv_pm popmenu job_submit_adv_pm
} }
+ button { button {
+ position +18 = + position +18 =
+ size 7 4 + size 7 4
+ text "DAMASK" + text "DAMASK"
+ help "damask_run#Job Submission And Control" + help "damask_run#Job Submission And Control"
+ popmenu damask + popmenu damask
+ } + }
button { + button {
position 0 +4 position 0 +4
size 12 4 size 12 4
@@ -1189,6 +1196,135 @@ popmenu job_submit_adv_pm { text "UPDATE"
} @@ -1190,6 +1197,135 @@
+#-------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------
+popmenu damask { +popmenu damask {
+ +
+#ifdef QT_MENTAT +#ifdef QT_MENTAT
@ -67,7 +67,7 @@
+ label { + label {
+ position -32 +6 + position -32 +6
+ size 12 6 + size 12 6
+ text "O2 / OpenMP" + text "O3 / OpenMP"
+ border_width 1 + border_width 1
+ border_color black + border_color black
+ } + }
@ -153,6 +153,7 @@
+ mode permanent + mode permanent
+} +}
+ +
#-------------------------------------------------------------------------------------------------- +#--------------------------------------------------------------------------------------------------
popmenu job_exit_msg_pm { popmenu job_exit_msg_pm {
text "EXIT MESSAGE"

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,75 @@
---
+++
@@ -166,6 +166,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/CoSim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi
+# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
+H5FC=$(h5fc -shlib -show)
+if [[ "$H5FC" == *"$dir is"* ]]; then
+ H5FC=$(echo $(echo "$H5FC" | tail -n1) | sed -e "s/\-shlib/-fPIC -qopenmp/g")
+ H5FC=${H5FC%-lmpifort*}
+fi
+HDF5_LIB=${H5FC//*ifort/}
+FCOMP="$H5FC"
+
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
@@ -594,7 +603,7 @@
PROFILE=" $PROFILE -pg"
fi
-FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
+FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
if test "$MTHREAD" = "OPENMP"
then
FORT_OPT=" $FORT_OPT -qopenmp"
@@ -607,7 +616,7 @@
FORT_OPT=" $FORT_OPT -save -zero"
fi
if test "$MARCHDF_HDF" = "HDF"; then
- FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
+ FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -621,6 +630,29 @@
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3"
+# determine DAMASK version
+if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'"
+else
+ DAMASKVERSION="'N/A'"
+fi
+
+# DAMASK compiler calls
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.2 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -778,7 +810,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \
- $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs $HDF_LIBS $SOLVER2LIBS"
+ $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs $HDF5_LIB $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.2+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

View File

@ -0,0 +1,24 @@
---
+++
@@ -1,18 +1,5 @@
#!/bin/sh
-# This script opens a window running an editor. The default window is an
-# xterm, and the default editor is vi. These may be customized.
+# This script opens a window running an editor.
+# The command to invoke the editor is specified during DAMASK installation
-dir=
-for d in /usr/bin /usr/bin/X11; do
- if test -x "$d/xterm"; then
- dir="$d"
- break
- fi
-done
-
-if test -z "$dir"; then
- echo "$0: Could not find xterm"
- exit 1
-fi
-
-"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
+%EDITOR% $*

View File

View File

View File

View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_mp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

View File

@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

View File

@ -0,0 +1,158 @@
---
+++
@@ -261,11 +261,18 @@
}
button {
position +25 =
- size 25 4
+ size 18 4
text "ADVANCED JOB SUBMISSION"
help "job_run#Job Submission And Control"
popmenu job_submit_adv_pm
}
+ button {
+ position +18 =
+ size 7 4
+ text "DAMASK"
+ help "damask_run#Job Submission And Control"
+ popmenu damask
+ }
button {
position 0 +4
size 16 4
@@ -1202,6 +1209,135 @@
}
+#--------------------------------------------------------------------------------------------------
+popmenu damask {
+
+#ifdef QT_MENTAT
+ text "DAMASK.MPIE.DE"
+#endif
+
+ group {
+#ifndef QT_MENTAT
+ label {
+ position 0 0
+ size 50 4
+ text "DAMASK.MPIE.DE"
+ }
+#endif
+
+ label {
+ position 1 6
+ size 13 6
+ text "Optimzation"
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position +13 =
+ size 20 6
+ text "write Input"
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position +18 =
+ size 30 6
+ text "do not write Inp."
+ border_width 1
+ border_color black
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O3 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 4 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 4 *monitor_job"
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O1 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 5 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 5 *monitor_job"
+ }
+
+ label {
+ position -32 +6
+ size 12 6
+ text "O0 / OpenMP"
+ border_width 1
+ border_color black
+ }
+
+ popdown {
+ position +12 =
+ size 20 6
+ text "Submit"
+ command "*submit_job 6 *monitor_job"
+ }
+
+ popdown {
+ position +20 =
+ size 20 6
+ text "Execute"
+ command "*execute_job 6 *monitor_job"
+ }
+
+ popdown {
+ position 19 +8
+ size 12 8
+ text "CANCEL"
+ }
+}
+
+ window {
+ parent mentat
+ origin 38 8
+#ifdef DCOM
+ size 50 100
+#else
+ size 50 94
+#endif
+ background_color body
+ border_width 1
+ border_color border
+ buffering single
+ }
+ mode permanent
+}
+
#--------------------------------------------------------------------------------------------------
popmenu job_exit_msg_pm {

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,49 @@
---
+++
@@ -6,18 +6,27 @@
DIR=$1
user=$3
program=$4
+usernoext=$user
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
+
+# add BLAS options for linking
+ BLAS="%BLAS%"
+
. $DIR/tools/include
DIRJOB=$2
cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
+echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
- $FORTRAN $user.f || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
- userobj=$user.o
+ userobj=$usernoext.o
$LOAD ${program} $DIR/lib/main.o\
@@ -33,9 +42,13 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $BLAS \
$SYSLIBS || \
{
- echo "$0: link failed for $user.o on host `hostname`"
+ echo "$0: link failed for $usernoext.o on host `hostname`"
exit 1
}
/bin/rm $userobj
+ /bin/rm $DIRJOB/*.mod
+ /bin/rm $DIRJOB/*.smod
+ /bin/rm $DIRJOB/*_genmod.f90

View File

@ -0,0 +1,75 @@
---
+++
@@ -166,6 +166,15 @@
MARC_COSIM_LIB="$MSCCOSIM_HOME/CoSim$MSCCOSIM_VERSION/Dcosim$MSCCOSIM_VERSION/lib"
fi
+# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
+H5FC=$(h5fc -shlib -show)
+if [[ "$H5FC" == *"$dir is"* ]]; then
+ H5FC=$(echo $(echo "$H5FC" | tail -n1) | sed -e "s/\-shlib/-fPIC -qopenmp/g")
+ H5FC=${H5FC%-lmpifort*}
+fi
+HDF5_LIB=${H5FC//*ifort/}
+FCOMP="$H5FC"
+
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
@@ -594,7 +603,7 @@
PROFILE=" $PROFILE -pg"
fi
-FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
+FORT_OPT="-c -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
if test "$MTHREAD" = "OPENMP"
then
FORT_OPT=" $FORT_OPT -qopenmp"
@@ -607,7 +616,7 @@
FORT_OPT=" $FORT_OPT -save -zero"
fi
if test "$MARCHDF_HDF" = "HDF"; then
- FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
+ FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
@@ -621,6 +630,29 @@
# for compiling free form f90 files. high opt, integer(4)
FORTF90="$FCOMP -c -O3"
+# determine DAMASK version
+if test -n "$DAMASK_USER"; then
+ DAMASKROOT=`dirname $DAMASK_USER`/../..
+ read DAMASKVERSION < $DAMASKROOT/VERSION
+ DAMASKVERSION="'"$DAMASKVERSION"'"
+else
+ DAMASKVERSION="'N/A'"
+fi
+
+# DAMASK compiler calls
+DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.3 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.3 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f18 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMARC4DAMASK=2022.3 -DDAMASKVERSION=$DAMASKVERSION \
+ -qopenmp -qopenmp-threadprivate=compat\
+ $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD -I$MARC_MOD"
+
if test "$MARCDEBUG" = "ON"
then
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
@@ -778,7 +810,7 @@
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-L$MARC_MKL \
- $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs $HDF_LIBS $SOLVER2LIBS"
+ $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $MARC_LIB/libtetmeshinterface.a $MARC_LIB/libcaefatigueinterface.a -L$MARC_LIB -lmkl_blacs_intelmpi_ilp64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -liomp5 -ltetmesh -lmeshgems -lmg-tetra -lmeshgems_stubs $HDF5_LIB $SOLVER2LIBS"
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.3+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTHIGHMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTHIGHMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.3+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTLOWMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTLOWMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

View File

@ -0,0 +1,517 @@
---
+++
@@ -136,6 +136,11 @@
# is created. For job running in the background, the log #
# file is always created. Default is "yes" #
##############################################################################
+# remove all Mentat paths from LD_LIBRARY_PATH
+LD_LIBRARY_PATH=:$LD_LIBRARY_PATH:
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([!(:)])mentat2022.3+([!(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH//+([(:)])/:}
+LD_LIBRARY_PATH=${LD_LIBRARY_PATH#:}; LD_LIBRARY_PATH=${LD_LIBRARY_PATH%:}
# set DIR to the directory in which this script is
REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`"
DIR=`dirname $REALCOM`
@@ -302,7 +307,23 @@
. "$DIR/getarch"
+
+# getting user subroutine file name
+found=0
+for i in "$@"; do
+ if test $found = 1; then
+ DAMASK_USER=$i
+ found=0
+ fi
+ case $i in
+ -u* | -U*)
+ found=1
+ ;;
+ esac
+done
+# sourcing include_linux64 (needs DAMASK_USER to be set)
. $MARC_INCLUDE
+
#
#
@@ -405,7 +426,7 @@
did=
vid=
user=
-usersubname=
+usernoext=
objs=
qid=background
cpu=
@@ -676,50 +697,19 @@
esac
;;
-u* | -U*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
-obj | -OBJ)
objs="$value"
@@ -1207,12 +1197,12 @@
fi
fi
fi
- if test "$usersubname"
+ if test "$user"
then
- if test ! -f $usersubname
+ if test ! -f $user
then
error="$error
-user subroutine file $usersubname not accessible"
+user subroutine file $user not accessible"
fi
fi
if test "$objs"
@@ -1531,7 +1521,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1564,7 +1554,7 @@
Marc shared lib : $progdll
Version type : $mode
Job ID : $DIRJID/$jid$extra_job_info
-User subroutine name : $usersubname
+User subroutine name : $user
User objects/libs : $objs
Restart file job ID : $rid
Substructure file ID : $sid
@@ -1687,7 +1677,7 @@
;;
esac
fi
- $ECHO "User subroutine name ($usersubname)? $ECHOTXT"
+ $ECHO "User subroutine name ($user)? $ECHOTXT"
read value
if test "$value"
then
@@ -1696,50 +1686,19 @@
user=
;;
*)
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user
- basefile=`$BASENAME $value`
- if test ${basefile##*.} = f
- then
- user=`dirname $value`/`$BASENAME $value .f`
- usersubname=$user.f
- elif test ${basefile##*.} = F
- then
- user=`dirname $value`/`$BASENAME $value .F`
- usersubname=$user.F
- elif test ${basefile##*.} = f90
- then
- user=`dirname $value`/`$BASENAME $value .f90`
- usersubname=$user.f90
- elif test ${basefile##*.} = F90
- then
- user=`dirname $value`/`$BASENAME $value .F90`
- usersubname=$user.F90
- fi
+ user=$value
case $user in
\/*)
;;
*)
user=`pwd`/$user
- usersubname=`pwd`/$usersubname
;;
esac
- if test ! -f $usersubname
- then
- if test -f $usersubname.f
- then
- usersubname=$usersubname.f
- elif test -f $usersubname.F
- then
- usersubname=$usersubname.F
- elif test -f $usersubname.f90
- then
- usersubname=$usersubname.f90
- elif test -f $usersubname.F90
- then
- usersubname=$usersubname.F90
- fi
- fi
+ usernoext=$user
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
+ usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
;;
esac
fi
@@ -2274,11 +2233,12 @@
#
# user subroutine used
#
+# add DAMASK options for linking
+ DAMASK="-lstdc++"
if test "$user"
then
-# program=$user.marc
- program=$DIRJOB/`$BASENAME $user .f`.marc
+ program=$usernoext.marc
case $program in
\/* | \.\/*)
bd=
@@ -2391,7 +2351,7 @@
fi
if test "$user"
then
- execpath=$DIRJOB/`$BASENAME $user .f`.marc
+ execpath=$usernoext.marc
usersub=1
fi
export execpath
@@ -3274,44 +3234,27 @@
echo
if test "$user"
then
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
- fi
-
+ userobj=$usernoext.o
fi
cat > $jid.runmarcscript << END4
if test "$user"
then
- if test ${basefile##*.} = f
- then
- ln -sf "$user.f" "$usersub"
- fi
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi
@@ -3331,6 +3274,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3344,6 +3288,9 @@
prgsav=yes
fi
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3390,7 +3337,7 @@
fi
else
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes
@@ -3556,7 +3503,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3569,21 +3516,21 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
echo " $PRODUCT Exit number 3"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3593,39 +3540,27 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3645,6 +3580,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -3686,6 +3622,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
#
# run marc
@@ -3779,7 +3718,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then
@@ -3904,7 +3843,7 @@
# first copy over the user sub if local directories
if test ${dirstatus[$counter]} = "local"
then
- $RCP $user.f $i:$DIR1/
+ $RCP $user $i:$DIR1/
fi
# do the compilation on the other machine
if test ${dirstatus[$counter]} = "shared"
@@ -3917,20 +3856,20 @@
remoteuser=$DIR1/`$BASENAME $user`
$RSH $i /bin/rm $remoteprog 2> /dev/null
echo
- $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog
+ $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog
# check if successful, the new executable should be there
line=`$RSH $i /bin/ls $remoteprog 2> /dev/null`
if test "$line"
then
echo compilation and linking successful on host $i
else
- echo "$0: compile failed for $user.f on host $i"
+ echo "$0: compile failed for $user on host $i"
exit 1
fi
# remove the user subroutine on remote machine
if test ${dirstatus[$counter]} = "local"
then
- $RSH $i /bin/rm $remoteuser.f 2> /dev/null
+ $RSH $i /bin/rm $remoteuser 2> /dev/null
fi
fi
fi
@@ -3940,37 +3879,25 @@
if test "$userhost"
then
echo
- echo "Compiling and linking user subroutine $user.f on host `hostname`"
- fi
- userobj=$DIRJOB/`$BASENAME $user .f`.o
- basefile=`$BASENAME $usersubname`
- if test ${basefile##*.} = f
- then
- usersub=$DIRJOB/`$BASENAME $user .f`.F
- ln -sf "$user.f" "$usersub"
- else
- usersub=$usersubname
+ echo "Compiling and linking user subroutine $user on host `hostname`"
fi
+ userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
- $FORTRAN $usersub || \
+ $DFORTRANMP $user || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
- $FORTRAN $usersub -o $userobj || \
+ $DFORTRANMP $user -o $userobj || \
{
- echo "$0: compile failed for $user.f"
+ echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
fi
- if test ${basefile##*.} = f
- then
- /bin/rm -f "$usersub"
- fi
fi # if test $user
@@ -3990,6 +3917,7 @@
$TKLIBS \
$MRCLIBS \
$METISLIBS \
+ $DAMASK \
$SFLIB \
$OPENSSL_LIB \
$SYSLIBS \
@@ -4030,7 +3958,9 @@
prgsav=yes
fi # if test $link
/bin/rm $userobj 2>/dev/null
-
+/bin/rm $DIRJOB/*.mod 2>/dev/null
+/bin/rm $DIRJOB/*.smod 2>/dev/null
+/bin/rm $DIRJOB/*_genmod.f90 2>/dev/null
# done if no job id given
if test -z "$jid"
then
@@ -4149,7 +4079,7 @@
else
#dllrun >0
if test $cpdll = yes; then
- filename=`basename $usersubname .f`
+ filename=$usernoext
/bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null
fi
if test $rmdll = yes;then

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@ -0,0 +1,24 @@
---
+++
@@ -1,18 +1,5 @@
#!/bin/sh
-# This script opens a window running an editor. The default window is an
-# xterm, and the default editor is vi. These may be customized.
+# This script opens a window running an editor.
+# The command to invoke the editor is specified during DAMASK installation
-dir=
-for d in /usr/bin /usr/bin/X11; do
- if test -x "$d/xterm"; then
- dir="$d"
- break
- fi
-done
-
-if test -z "$dir"; then
- echo "$0: Could not find xterm"
- exit 1
-fi
-
-"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
+%EDITOR% $*

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View File

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@ -0,0 +1,38 @@
---
+++
@@ -63,10 +63,10 @@
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
slv="-iam sfm"
fi
-if [ "$slv" == "marc" ]; then
+if [ "$slv" = "marc" ]; then
slv=""
fi
-if [ "$slv" == "datfit" ]; then
+if [ "$slv" = "datfit" ]; then
slv="-iam datfit"
fi
@@ -91,6 +91,7 @@
srcfile="-u $srcfile -save y"
;;
runsaved)
+ srcfile=${srcfile%.*}".marc"
srcfile="-prog $srcfile"
;;
esac
@@ -189,12 +190,12 @@
unset PYTHONPATH
if [ "$doe_first" = "-" ]; then # submit of regular Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
else # submit of a DoE Marc job
- "${DIR}/tools/run_marc" $slv -j $job -v n -b n $nprocds $nprocd \
+ "${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b n $nprocds $nprocd \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$assem_recov_nthread $nthread $nsolver $mode $gpu

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