Merge remote-tracking branch 'origin/development' into 20-NewStyleDislotwin

.gitlab-ci.yml

@@ -7,7 +7,7 @@ stages:
   - compilePETScGNU
   - prepareSpectral
   - spectral
-  - compileMarc2017
+  - compileMarc2018_1
   - marc
   - compileAbaqus2017
   - example
@@ -73,10 +73,13 @@ variables:
   PETSc_MPICH_GNU:                 "$PETSc3_10_0MPICH3_2GNU7_3"
   # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
   Abaqus2017:                      "FEM/Abaqus/2017"
+  MSC2018_1:                       "FEM/MSC/2018.1"
   MSC2017:                         "FEM/MSC/2017"
   # ------------ Defaults ----------------------------------------------
   Abaqus:                          "$Abaqus2017"
-  MSC:                             "$MSC2017"
+  MSC:                             "$MSC2018_1"
+  IntelMarc:                       "$IntelCompiler17_0"
+  IntelAbaqus:                     "$IntelCompiler16_4"
   # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
   Doxygen1_8_13:                   "Documentation/Doxygen/1.8.13"
   # ------------ Defaults ----------------------------------------------
@@ -275,6 +278,13 @@ Spectral_ipNeighborhood:
     - master
     - release
 
+RGC_DetectChanges:
+  stage: spectral
+  script: RGC_DetectChanges/test.py
+  except:
+    - master
+    - release
+
 Nonlocal_Damage_DetectChanges:
   stage: spectral
   script: Nonlocal_Damage_DetectChanges/test.py
@@ -349,20 +359,21 @@ TextureComponents:
 
 
 ###################################################################################################
-Marc_compileIfort2017:
+Marc_compileIfort2018_1:
-  stage: compileMarc2017
+  stage: compileMarc2018_1
   script:
-    - module load $IntelCompiler16_4 $MSC2017
+    - module load $IntelCompiler17_0 $MSC2018_1
-    - Marc_compileIfort/test.py -m 2017
+    - Marc_compileIfort/test.py -m 2018.1
   except:
     - master
     - release
 
+
 ###################################################################################################
 Hex_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_4 $MSC
+    - module load $IntelMarc $MSC
     - Hex_elastic/test.py
   except:
     - master
@@ -371,7 +382,7 @@ Hex_elastic:
 CubicFCC_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_4 $MSC
+    - module load $IntelMarc $MSC
     - CubicFCC_elastic/test.py
   except:
     - master
@@ -380,7 +391,7 @@ CubicFCC_elastic:
 CubicBCC_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_4 $MSC
+    - module load $IntelMarc $MSC
     - CubicBCC_elastic/test.py
   except:
     - master
@@ -389,7 +400,7 @@ CubicBCC_elastic:
 J2_plasticBehavior:
   stage: marc
   script:
-    - module load $IntelCompiler16_4 $MSC
+    - module load $IntelMarc $MSC
     - J2_plasticBehavior/test.py
   except:
     - master
@@ -415,7 +426,7 @@ SpectralExample:
 AbaqusExample:
   stage: example
   script:
-    - module load $IntelCompiler16_4 $Abaqus
+    - module load $IntelAbaqus $Abaqus
     - Abaqus_example/test.py
   only:
     - development

CONFIG

@@ -6,6 +6,8 @@ set DAMASK_BIN            = ${DAMASK_ROOT}/bin
 set DAMASK_NUM_THREADS    = 4
 
 set MSC_ROOT              = /opt/msc
-set MARC_VERSION          = 2017
+set MARC_VERSION          = 2018.1
 
 set ABAQUS_VERSION        = 2017
+
+set DAMASK_HDF5           = OFF

DAMASK_prerequisites.sh

@@ -78,7 +78,7 @@ echo PETSC_DIR: $PETSC_DIR
 ls $PETSC_DIR/lib
 
 firstLevel "Python"
-DEFAULT_PYTHON=python2.7
+DEFAULT_PYTHON=python3
 for executable in python python2 python3 python2.7; do
   getDetails $executable '--version'
 done

PRIVATE

@@ -1 +1 @@
-Subproject commit b6a371445fa6739b391e56f508687f83cdeb56ab
+Subproject commit 48ce603a2525d9b428f1bccb56eb958d231036cb

VERSION

@@ -1 +1 @@
-v2.0.2-826-g50b03e03
+v2.0.2-889-g47650e94

installation/mods_MarcMentat/2016/Marc_tools/include_linux64.original

@@ -1,714 +0,0 @@
-#
-#                 General definitions for the Marc 2016 version
-#
-#                         EM64T
-#
-#                         Linux RedHat 6.3 / SuSE 11
-#
-#                         64 bit MPI version
-#
-#                         Intel(R) Fortran Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 15.0.0.090 Build 20140723
-#
-#                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 15.0.0.090 Build 20140723
-#
-#                         To check the O/S level, type:
-#                           uname -a
-#
-#                         Distributed parallel MPI libraries:
-#                         1) HP MPI 2.3
-#                             To check the mpi version, type:
-#                               mpirun -version
-#                         2) Intel MPI 5.1.3
-#                             To check the mpi version, type:
-#                               mpiexec.hydra -version
-#
-#                         To check the Compiler level, type using the compiler
-#                         installation path:
-#                           ifort -V
-#                           icc -V
-#
-#  REMARKS      : This file contains the definitions of variables used during
-#                 compilation loading and use of the MARC programmes . The
-#                 current machine type is identified by means of the variable
-#                 MACHINE , defined below. 
-#
-#
-# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
-# DIRJOB  : directory in which spawned jobs should look for Marc input
-# MPI_ARCH: system architecture
-# MPI_EPATH: path where executable resides
-#
-REVISION="VERSION, BUILD"
-HOSTNAME=`hostname`
-
-# find available memory in Mbyte on the machine
-#   can be set explicitly
-MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
-
-# set _OEM_NASTRAN to 1 for MD Nastran build
-# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
-_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
-
-# uncomment the following line for an autoforge build
-#AUTOFORGE=1
-AUTOFORGE=0
-export AUTOFORGE
-
-# integer size
-if test "$MARC_INTEGER_SIZE" = "" ; then
- INTEGER_PATH=
-else
- INTEGER_PATH=/$MARC_INTEGER_SIZE
-fi
-
-FCOMP=ifort
-INTELPATH="/opt/intel/composer_xe_2015.0.090"
-
-# find the root directory of the compiler installation:
-# - if ifort is found in $PATH, then the root directory is derived
-#   from the path to ifort
-# - if ifort is not found in $PATH, the root directory is assumed
-#   to be $INTELPATH and the directory in which ifort is found is
-#   added to $PATH
-FCOMPPATH=`which "$FCOMP" 2>/dev/null`
-if test -n "$FCOMPPATH"; then
- # derive the root directory from $FCOMPPATH
- FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
- if test "$FCOMPROOT" = "$FCOMPPATH"; then
-  FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
- fi
- if test "$FCOMPROOT" = "$FCOMPPATH"; then
-  FCOMPROOT=
- fi
-elif test -d "$INTELPATH"; then
- # check for compiler in $INTELPATH
- if test -d "$INTELPATH/bin/intel64" -a \
-         -x "$INTELPATH/bin/intel64/$FCOMP" ; then
-  FCOMPROOT="$INTELPATH"
-  PATH="$INTELPATH/bin/intel64:$PATH"
- elif test -d "$INTELPATH/bin" -a \
-           -x "$INTELPATH/bin/$FCOMP"; then
-  FCOMPROOT="$INTELPATH"
-  PATH="$INTELPATH/bin:$PATH"
- else
-  FCOMPROOT=
- fi
-else
- FCOMPROOT=
-fi
-
-# settings for MKL
-MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
-
-#
-# settings for Metis
-#
-METIS="-I$METIS_SOURCE/include"
-METISLIBS="$MARC_LIB/metis.a "
-
-#
-# settings for MPI
-#
-# RCP and RSH are used for parallel network runs
-#    replace with similar commands like rsh if needed
-RCP=/usr/bin/scp
-RSH=/usr/bin/ssh
-#
-
-
-MPI_DEFAULT=intelmpi
-MPI_OTHER=hpmpi
-
-MPITYPE=$MPI_DEFAULT
-
-if test $AUTOFORGE
-then
- if test $AUTOFORGE = 1
- then
-  MPITYPE=none
- fi
-fi
-
-
-# overrule MPITYPE setting with environmental variable MARC_MPITYPE
-if test $MARC_MPITYPE
-then
- MPITYPE=$MARC_MPITYPE
-fi
-
-# always set MPITYPE to none for MD Nastran
-if test "$_OEM_NASTRAN" -ne 0
-then
- MPITYPE=none
-fi
-
-# Edit following lines to build with GPGPU version of BCS Solver for
-# NVIDIA platforms
-#BCSGPUSOLVER=NONE
-BCSGPUSOLVER=BCSGPU
-
-SOLVERFLAGS=
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
-  BCS_DIR=bcsgpusolver
-  export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
-  export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
-else
-  BCS_DIR=bcssolver
-fi
-#
-# settings for MPI
-#
-DDM=
-if test $MPITYPE != none
-then
- if test $MPITYPE = hpmpi
- then
-  FCOMPMPI=mpif90
-  export MPI_ROOT=$MARC_HPMPI
-  export MPI_REMSH=$RSH
-  export MPI_F77=$FCOMP
-  ARCHITECTURE=linux_amd64
-  DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
-  MPI_CLEAN=
-  export MPI_EPATH=$MARC_BIN
-  export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
-  export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
-#  Below line is moved in run_marc file
-#  export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
-  export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
-  if test -n "$MSC_LICENSE_FILE"
-  then
-   export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
-  fi
-  if test -n "$LM_LICENSE_FILE"
-  then
-   export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
-  fi
-  export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
-  RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
-  RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
-  RUN_JOB0=
- fi
- if test $MPITYPE = intelmpi
- then
-  INTELMPI_VERSION=HYDRA
-  FCOMPMPI=mpiifort
-  MPI_ROOT=$MARC_INTELMPI
-  DDM="-I${MPI_ROOT}/include64 -DDDM"
-  PATH=$MPI_ROOT/bin64:$PATH
-  export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
-  export LD_LIBRARY_PATH
-  if test $INTELMPI_VERSION = HYDRA
-  then
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
-  else
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
-  fi
-  RUN_JOB0=
-  MPI_CLEAN=
-  MPI_EPATH=$MARC_BIN
-  MPIR_HOME=$MPI_ROOT
-  MPICH_F77=$FCOMP
-  MPICH_F77LINKER=$FCOMP
-  export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
-  I_MPI_PIN_DOMAIN=node
-  export I_MPI_PIN_DOMAIN
- fi
-else
-  MPI_ROOT=$MARC_DUMMYMPI
-  export MPI_ROOT=$MARC_DUMMYMPI
-  DDM="-I$MPI_ROOT/include"
-fi
-
-#
-#  variables for the "maintain" script
-#
-
-MACHINENAME=LINUX
-MACHINE64BIT=yes
-MACHINE=Linux_EM64T
-DEV=/dev/tape
-GETLOG="whoami"
-CLEAR="clear"
-MY_UNAME=`uname -a`
-
-# Edit following 2 lines to build with VKI Solver
-#VKISOLVER=VKI
-VKISOLVER=NONE
-
-# Edit following 2 lines to build with CASI Solver
-CASISOLVER=CASI
-if test "$MARC_CASISOLVER" = "NONE" ; then
-  CASISOLVER=NONE
-fi
-#CASISOLVER=NONE
-
-# Edit following 2 lines to build with MF2 Solver
-MF2SOLVER=NONE
-#MF2SOLVER=SERIAL
-#MF2SOLVER=MF2PARALLEL
-
-# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
-#INTELSOLVER=NONE
-INTELSOLVER=PARDISO
-
-# Edit following lines to build with MUMPS
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
- #MUMPSSOLVER=NONE
- MUMPSSOLVER=MUMPS
-else
- #MUMPSSOLVER=NONE
- MUMPSSOLVER=MUMPS
-fi
-
-# Edit following 2 lines to build MARC dynamic shared library
-MARC_DLL=MARC_DLL
-MARC_DLL=NONE
-
-# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
-if test "$_OEM_NASTRAN" -ne 0
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
- MARC_DLL=NONE
-fi
-
-#
-#  define Fortran and C compile syntax
-#
-if test "$VKISOLVER" = VKI
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DVKI"
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DCASI"
-fi
-
-if test "$MF2SOLVER" = MF2PARALLEL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
-fi
-if test "$MF2SOLVER" = MF2SERIAL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
-fi
-
-if test "$INTELSOLVER" = PARDISO
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
-fi
-
-if test "$MUMPSSOLVER" = MUMPS
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
-fi
-
-
-if test "$MARC_DLL" = MARC_DLL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
-fi
-
-LINK_OPT=
-DEBUG_OPT=
-C_DEBUG_OPT=
-
-#Uncomment following line to build Marc in debuggable mode
-MARCDEBUG=
-#MARCDEBUG="ON"
-
-if test "$MARCDEBUG" = "ON"
-then
-  LINK_OPT="-debug -traceback"
-  DEBUG_OPT="-debug -traceback"
-  C_DEBUG_OPT="-debug -traceback"
-fi
-
-
-MARCCHECK=
-#MARCCHECK="ON"
-if test "$MARCCHECK" = "ON"
-then
-  DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
-  C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
-fi
-
-MARCCODECOV=
-#MARCCODECOV="ON"
-
-MARCCODEPROF=
-#MARCCODEPROF="ON"
-
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
-  I8FFLAGS=
-  I8DEFINES=
-  I8CDEFINES=
-  I8CASIDEFS=
-else
-  I8FFLAGS="-i8"
-  I8DEFINES="-DI64"
-  I8CDEFINES="-U_DOUBLE -D_SINGLE"
-  I8CASIDEFS="-DCASI_64BIT_INT=1"
-fi
-
-MTHREAD=OPENMP
-if test "$MARC_OPENMP" = "NONE" ; then
-  MTHREAD=NONE
-fi
-#MTHREAD=NONE
-if test "$_OEM_NASTRAN" -ne 0
-then
-MTHREAD=NONE
-fi
-
-OMP_COMPAT=NO
-OMP_COMPAT=YES
-if test "$MTHREAD" = "NONE"
-then
-OMP_COMPAT=NO
-fi
-
-CDEFINES=
-FDEFINES=
-
-if test "$_OEM_NASTRAN" -ne 0
-then
-  CDEFINES="$CDEFINES -D_OEM_NASTRAN"
-  FDEFINES="$FDEFINES -D_OEM_NASTRAN"
-fi
-
-FDEFINES="$FDEFINES -D_IMPLICITNONE"
-
-if test "$_OEM_NASTRAN" -eq 0
-then
-  FDEFINES="$FDEFINES -DMKL -DOPENMP"
-fi
-
-if test "$OMP_COMPAT" = "YES"
-then
-  FDEFINES="$FDEFINES -DOMP_COMPAT"
-fi
-
-# -D_MSCMARC
-FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
-CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
-
-CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
-if test "$_OEM_NASTRAN" -ne 0
-then
-  CINCL="$CINCL -I../../include"
-fi
-
-CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-
-if test "$MARCDEBUG" = "ON"
-then
-  CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-  CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-  CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
-fi
-
-LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
-CCT="$CC"
-CCTLOW="$CCLOW"
-CCTHIGH="$CCHIGH"
-
-CC_CASI="$CC -std=c99 $I8CASIDEFS"
-CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
-CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-#PROFILE="-Mprof=func"
-#PROFILE="-Mprof=lines"
-#PROFILE="-Mprof=func,mpi"
-PROFILE=
-if test "$MARCCODECOV" = "ON"
-then
-PROFILE="-prof-gen=srcpos"
-fi
-if test "$MARCCODEPROF" = "ON"
-then
-PROFILE=" $PROFILE -pg"
-fi
-
-FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
-if test "$MTHREAD" = "OPENMP"
-then
-  FORT_OPT=" $FORT_OPT -openmp"
-  if test "$OMP_COMPAT" = "YES"
-  then
-    FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat"
-  fi
-else
-#  FORT_OPT=" $FORT_OPT -auto "
-  FORT_OPT=" $FORT_OPT -save -zero"
-fi
-
-FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
-
-if test "$MARCDEBUG" = "ON"
-then
-  FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-  FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-  FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-  FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
-fi
-
-FORTLOWT="$FORTLOW"
-FORTRANT="$FORTRAN"
-FORTHIGHT="$FORTHIGH"
-
-FORTRANMNF="$FCOMP -c $FDEFINES "
-CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
-
-FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
-CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
-
-
-BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
-NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
-NVCCLIB="ar rvl"
-NVCCLD=icc
-BCSFORTLOW="$FORTLOW   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTRAN="$FORTRAN   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORT90HIGH="$BCSFORTHIGH"
-if test "$MARCDEBUG" = "ON"
-then
-  BCSFORTRAN=$BCSFORTLOW
-  BCSFORTHIGH=$BCSFORTLOW
-  BCSFORT90HIGH=$BCSFORTLOW
-fi
-
-if test $MPITYPE != none
-then
- if test $MPITYPE = hpmpi
- then
-  LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
-  LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
- fi
-# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
-# if test $MPITYPE = intelmpi
-# then
-#  INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-#  LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-# fi
- if test $MPITYPE = intelmpi
- then
-  LOAD="ifort $PROFILE $LINK_OPT -o "
-  LOADT="ifort $PROFILE $LINK_OPT -o "
- fi
-else
- LOAD="$FCOMP $LINK_OPT -o " 
- LOADT="$FCOMP $LINK_OPT -o "
-fi
-
-if test "$MARC_DLL" = MARC_DLL
-then
- FORTLOW="$FORTLOW -fpp -fPIC"
- FORTRAN="$FORTRAN -fpp -fPIC"
- FORTHIGH="$FORTHIGH -fpp -fPIC"
- FORTRANMNF="$FORTRANMNF -fpp -fPIC"
- CC="$CC -fPIC"
- CCMNF="$CCMNF -fPIC"
- CC_CASI="$CC_CASI -fPIC"
- CCLOW_CASI="$CCLOW_CASI -fPIC"
- CCHIGH_CASI="$CCHIGH_CASI -fPIC"
- LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
- LINK_MARC_DLL="-shared -fPIC"
- LOAD_DLL=$LOAD
- LOADT_DLL=$LOADT
- EXT_DLL="so"
-fi
-
-
-XLIBS="-L/usr/X11/lib -lX11 "
-
-#
-#  define archive and ranlib syntax
-#
-
-ARC="ar rvl"
-ARD="ar dvl"
-ARX="ar xl"
-RAN=""
-
-#
-#  choose which libraries you want to use ( e.g. blas )
-#
-
-if test "$VKISOLVER" = VKI
-then
-  VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
-else
-  VKISOLVERLIBS=
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  CASISOLVERLIBS="$MARC_CASI/casilib.a"
-else
-  CASISOLVERLIBS=
-fi
-
-MF2SOLVERLIBS=
-if test "$MF2SOLVER" = MF2PARALLEL
-then
-  MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a     \
-                 $MARC_LIB/mf2parallel/libsym.a     \
-                 $MARC_LIB/mf2parallel/libmet.a     \
-                 $MARC_LIB/mf2parallel/libmf2.a     \
-                 $MARC_LIB/mf2parallel/libgauss.a   \
-                 $MARC_LIB/mf2parallel/libmf2.a     \
-                 $MARC_LIB/mf2parallel/libgauss.a   \
-                 $MARC_LIB/mf2parallel/libnum.a     \
-                 $MARC_LIB/mf2parallel/libutl.a     \
-                 $MARC_LIB/mf2parallel/libr8.a      \
-                 $MARC_LIB/mf2parallel/libz.a       "
-fi
-
-if test "$MUMPSSOLVER" = MUMPS
-then
-  MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
-  if test $MPITYPE = none
-  then
-   MUMPSSOLVERLIBS2=
-   echo hello > /dev/null
-  fi
-  if test $MPITYPE = intelmpi
-  then
-   if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
-   fi
-  fi
-  if test $MPITYPE = hpmpi
-  then
-   if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
-   fi
-  fi
-else
-  MUMPSSOLVERLIBS=
-  MUMPSSOLVERLIBS2=
-fi
-
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${MARC_LIB}/cuda       -lmarccuda "
-  MARCCUDALIBS=$MARCCUDALIBS1
-  CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
-else
-  BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
-fi
-
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
- MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  $MARC_MKL/libmkl_blacs_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group"
-else
- MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group"
-fi
-
-SECLIBS="-L$MARC_LIB -llapi"
-
-SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \
-  $MKLLIB -L$MARC_MKL -liomp5 \
-  $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a "
-
-SOLVERLIBS_DLL=${SOLVERLIBS}
-
-MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
-MRCLIBSPAR="$MARC_LIB/clib.a"
-STUBS="$MARC_LIB/stubs.a "
-MNFLIBS="$MARC_LIB/libmnf.a"
-MDUSER="$MARC_LIB/md_user.a"
-if test "X$MARC_SIMUFACT" != "X"
-then
- SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
-else
- SFLIB=" "
-fi
-
-OPENMP="-openmp"
-
-SYSLIBS=" $OPENMP -lpthread -shared-intel "
-
-# Uncomment the following lines to turn on the trace and comment out the next 4 lines
-# if test $MPITYPE = intelmpi
-# then
-#  SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
-#           -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
-# fi
-if test $MPITYPE = intelmpi
-then
- SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel "
-fi
-
-
-SYSLIBSPAR=" "
-
-MARC_DLL_CODES="runmarc.f"
-
-
-BLAS_SRC="dzero.f icopy.f izero.f"
-if test "$_OEM_NASTRAN" -ne 0
-then
-  if test "$MARC_INTEGER_SIZE" = "i4" ; then
-   BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
-  else
-   BLAS_SRC="ALL"
-  fi
-fi
-
-LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
-               omars.f fixbc.f triang.f  bet049.f norst3.f eldata.f \
-               elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
-               cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
-               inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
-if test "$MARC_INTEGER_SIZE" = "i8" ; then
-  LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
-fi
-LOW_OPT_CODES_CASI=""
-
-HIGH_OPT_CODES="dpsmsa1.f  dpsmsa2.f  dpsmsa3.f   dpsmsa4.f  dpsmsa5.f  dpsmsa6.f \
-                dpsmsa7.f  dpsmsa8.f  dpsmsa9.f  dpsmsa10.f dpsmsa11.f dpsmsa12.f \
-               dpsmsa13.f dpsmsa14.f dpsmsa15.f  dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
-
-
-HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
-
-MAXNUM=1000000

installation/mods_MarcMentat/2017/Marc_tools/comp_damask_hmp

@@ -1,52 +0,0 @@
-#!/bin/ksh
-# 1st arg: $DIR
-# 2nd arg: $DIRJOB
-# 3rd arg: $user
-# 4th arg: $program
-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 on host `hostname`"
-echo "program: $program"
-        $DFORTHIGHMP $user || \
-		{
-		echo "$0: compile failed for $user"
-		exit 1
-		}
-        /bin/rm $program 2>/dev/null
-        userobj=$usernoext.o
-
-
-    $LOAD ${program}  $DIR/lib/main.o\
-    $DIR/lib/blkdta.o $DIR/lib/comm?.o \
-    ${userobj-} \
-    $DIR/lib/srclib.a \
-    $MNFLIBS \
-    $MDUSER  \
-    ../lib/mdsrc.a \
-    ../lib/mcvfit.a \
-    $STUBS \
-    ${SOLVERLIBS} \
-    $TKLIBS \
-    $MRCLIBS \
-    $METISLIBS \
-    $BLAS   \
-    $SYSLIBS          || \
-    {
-    echo "$0: link failed for $usernoext.o on host `hostname`"
-    exit 1
-    }
-    /bin/rm $userobj
-	/bin/rm $DIRJOB/*.mod

installation/mods_MarcMentat/2017/Marc_tools/comp_damask_lmp

@@ -1,52 +0,0 @@
-#!/bin/ksh
-# 1st arg: $DIR
-# 2nd arg: $DIRJOB
-# 3rd arg: $user
-# 4th arg: $program
-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 on host `hostname`"
-echo "program: $program"
-        $DFORTRANLOWMP $user || \
-		{
-		echo "$0: compile failed for $user"
-		exit 1
-		}
-        /bin/rm $program 2>/dev/null
-        userobj=$usernoext.o
-
-
-    $LOAD ${program}  $DIR/lib/main.o\
-    $DIR/lib/blkdta.o $DIR/lib/comm?.o \
-    ${userobj-} \
-    $DIR/lib/srclib.a \
-    $MNFLIBS \
-    $MDUSER  \
-    ../lib/mdsrc.a \
-    ../lib/mcvfit.a \
-    $STUBS \
-    ${SOLVERLIBS} \
-    $TKLIBS \
-    $MRCLIBS \
-    $METISLIBS \
-    $BLAS   \
-    $SYSLIBS          || \
-    {
-    echo "$0: link failed for $usernoext.o on host `hostname`"
-    exit 1
-    }
-    /bin/rm $userobj
-	/bin/rm $DIRJOB/*.mod

installation/mods_MarcMentat/2017/Marc_tools/comp_damask_mp

@@ -1,52 +0,0 @@
-#!/bin/ksh
-# 1st arg: $DIR
-# 2nd arg: $DIRJOB
-# 3rd arg: $user
-# 4th arg: $program
-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 on host `hostname`"
-echo "program: $program"
-        $DFORTRANMP $user || \
-		{
-		echo "$0: compile failed for $user"
-		exit 1
-		}
-        /bin/rm $program 2>/dev/null
-        userobj=$usernoext.o
-
-
-    $LOAD ${program}  $DIR/lib/main.o\
-    $DIR/lib/blkdta.o $DIR/lib/comm?.o \
-    ${userobj-} \
-    $DIR/lib/srclib.a \
-    $MNFLIBS \
-    $MDUSER  \
-    ../lib/mdsrc.a \
-    ../lib/mcvfit.a \
-    $STUBS \
-    ${SOLVERLIBS} \
-    $TKLIBS \
-    $MRCLIBS \
-    $METISLIBS \
-    $BLAS   \
-    $SYSLIBS          || \
-    {
-    echo "$0: link failed for $usernoext.o on host `hostname`"
-    exit 1
-    }
-    /bin/rm $userobj
-	/bin/rm $DIRJOB/*.mod

installation/mods_MarcMentat/2017/Marc_tools/comp_user.original

@@ -1,41 +0,0 @@
-#!/bin/ksh
-# 1st arg: $DIR
-# 2nd arg: $DIRJOB
-# 3rd arg: $user
-# 4th arg: $program
-DIR=$1
-user=$3
-program=$4
-. $DIR/tools/include
-DIRJOB=$2
-cd $DIRJOB
-echo "Compiling and linking user subroutine $user.f on host `hostname`"
-echo "program: $program"
-        $FORTRAN $user.f || \
-		{
-		echo "$0: compile failed for $user.f"
-		exit 1
-		}
-        /bin/rm $program 2>/dev/null
-        userobj=$user.o
-
-
-    $LOAD ${program}  $DIR/lib/main.o\
-    $DIR/lib/blkdta.o $DIR/lib/comm?.o \
-    ${userobj-} \
-    $DIR/lib/srclib.a \
-    $MNFLIBS \
-    $MDUSER  \
-    ../lib/mdsrc.a \
-    ../lib/mcvfit.a \
-    $STUBS \
-    ${SOLVERLIBS} \
-    $TKLIBS \
-    $MRCLIBS \
-    $METISLIBS \
-    $SYSLIBS          || \
-    {
-    echo "$0: link failed for $user.o on host `hostname`"
-    exit 1
-    }
-    /bin/rm $userobj

installation/mods_MarcMentat/2017/Marc_tools/include_linux64

@@ -1,765 +0,0 @@
-#
-#                 General definitions for the Marc 2017 version
-#
-#                         EM64T
-#
-#                         Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
-#
-#                         64 bit MPI version
-#
-#                         Intel(R) Fortran Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 16.0.2.181 Build 20160204
-#
-#                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 16.0.2.181 Build 20160204
-#
-#                         To check the O/S level, type:
-#                           uname -a
-#
-#                         Distributed parallel MPI libraries:
-#                         1) HP MPI 2.3
-#                             To check the mpi version, type:
-#                               mpirun -version
-#                         2) Intel MPI 5.1.3
-#                             To check the mpi version, type:
-#                               mpiexec.hydra -version
-#
-#                         To check the Compiler level, type using the compiler
-#                         installation path:
-#                           ifort -V
-#                           icc -V
-#
-#  REMARKS      : This file contains the definitions of variables used during
-#                 compilation loading and use of the MARC programmes . The
-#                 current machine type is identified by means of the variable
-#                 MACHINE , defined below. 
-#
-#
-# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
-# DIRJOB  : directory in which spawned jobs should look for Marc input
-# MPI_ARCH: system architecture
-# MPI_EPATH: path where executable resides
-#
-REVISION="VERSION, BUILD"
-HOSTNAME=`hostname`
-
-# find available memory in Mbyte on the machine
-#   can be set explicitly
-MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
-
-# set _OEM_NASTRAN to 1 for MD Nastran build
-# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
-_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
-
-# uncomment the following line for an autoforge build
-#AUTOFORGE=1
-AUTOFORGE=0
-export AUTOFORGE
-
-# integer size
-if test "$MARC_INTEGER_SIZE" = "" ; then
- INTEGER_PATH=
-else
- INTEGER_PATH=/$MARC_INTEGER_SIZE
-fi
-
-FCOMP=ifort
-INTELPATH="/opt/intel/compilers_and_libraries_2016/linux"
-
-# find the root directory of the compiler installation:
-# - if ifort is found in $PATH, then the root directory is derived
-#   from the path to ifort
-# - if ifort is not found in $PATH, the root directory is assumed
-#   to be $INTELPATH and the directory in which ifort is found is
-#   added to $PATH
-FCOMPPATH=`which "$FCOMP" 2>/dev/null`
-if test -n "$FCOMPPATH"; then
- # derive the root directory from $FCOMPPATH
- FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
- if test "$FCOMPROOT" = "$FCOMPPATH"; then
-  FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
- fi
- if test "$FCOMPROOT" = "$FCOMPPATH"; then
-  FCOMPROOT=
- fi
-elif test -d "$INTELPATH"; then
- # check for compiler in $INTELPATH
- if test -d "$INTELPATH/bin/intel64" -a \
-         -x "$INTELPATH/bin/intel64/$FCOMP" ; then
-  FCOMPROOT="$INTELPATH"
-  PATH="$INTELPATH/bin/intel64:$PATH"
- elif test -d "$INTELPATH/bin" -a \
-           -x "$INTELPATH/bin/$FCOMP"; then
-  FCOMPROOT="$INTELPATH"
-  PATH="$INTELPATH/bin:$PATH"
- else
-  FCOMPROOT=
- fi
-else
- FCOMPROOT=
-fi
-
-# settings for MKL
-MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
-
-#
-# settings for Metis
-#
-METIS="-I$METIS_SOURCE/include"
-METISLIBS="$MARC_LIB/metis.a "
-
-#
-# settings for MPI
-#
-# RCP and RSH are used for parallel network runs
-#    replace with similar commands like rsh if needed
-RCP=/usr/bin/scp
-RSH=/usr/bin/ssh
-#
-
-
-MPI_DEFAULT=intelmpi
-MPI_OTHER=hpmpi
-
-MPITYPE=$MPI_DEFAULT
-
-if test $AUTOFORGE
-then
- if test $AUTOFORGE = 1
- then
-  MPITYPE=none
- fi
-fi
-
-
-# overrule MPITYPE setting with environmental variable MARC_MPITYPE
-if test $MARC_MPITYPE
-then
- MPITYPE=$MARC_MPITYPE
-fi
-
-# always set MPITYPE to none for MD Nastran
-if test "$_OEM_NASTRAN" -ne 0
-then
- MPITYPE=none
-fi
-
-# Edit following lines to build with GPGPU version of BCS Solver for
-# NVIDIA platforms
-#BCSGPUSOLVER=NONE
-BCSGPUSOLVER=BCSGPU
-
-# Edit following lines to set the openssl library
-if test "$OPENSSL" != "NONE" 
-then
-  OPENSSL_LIB="$MARC_LIB/libcrypto.a"
-fi
-OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
-
-
-SOLVERFLAGS=
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
-  BCS_DIR=bcsgpusolver
-  export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
-  export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
-else
-  BCS_DIR=bcssolver
-fi
-#
-# settings for MPI
-#
-DDM=
-if test $MPITYPE != none
-then
- if test $MPITYPE = hpmpi
- then
-  FCOMPMPI=mpif90
-  export MPI_ROOT=$MARC_HPMPI
-  export MPI_REMSH=$RSH
-  export MPI_F77=$FCOMP
-  ARCHITECTURE=linux_amd64
-  DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
-  MPI_CLEAN=
-  export MPI_EPATH=$MARC_BIN
-  export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
-  export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
-#  Below line is moved in run_marc file
-#  export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
-  export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
-  if test -n "$MSC_LICENSE_FILE"
-  then
-   export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
-  fi
-  if test -n "$LM_LICENSE_FILE"
-  then
-   export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
-  fi
-  export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
-  RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
-  RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
-  RUN_JOB0=
- fi
- if test $MPITYPE = intelmpi
- then
-  INTELMPI_VERSION=HYDRA
-  FCOMPMPI=mpiifort
-  MPI_ROOT=$MARC_INTELMPI
-  DDM="-I${MPI_ROOT}/include64 -DDDM"
-  PATH=$MPI_ROOT/bin64:$PATH
-  export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
-  export LD_LIBRARY_PATH
-  if test $INTELMPI_VERSION = HYDRA
-  then
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
-  else
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
-  fi
-  RUN_JOB0=
-  MPI_CLEAN=
-  MPI_EPATH=$MARC_BIN
-  MPIR_HOME=$MPI_ROOT
-  MPICH_F77=$FCOMP
-  MPICH_F77LINKER=$FCOMP
-  export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
-  I_MPI_PIN_DOMAIN=node
-  export I_MPI_PIN_DOMAIN
- fi
-else
-  MPI_ROOT=$MARC_DUMMYMPI
-  export MPI_ROOT=$MARC_DUMMYMPI
-  DDM="-I$MPI_ROOT/include"
-fi
-
-#
-#  variables for the "maintain" script
-#
-
-MACHINENAME=LINUX
-MACHINE64BIT=yes
-MACHINE=Linux_EM64T
-DEV=/dev/tape
-GETLOG="whoami"
-CLEAR="clear"
-MY_UNAME=`uname -a`
-
-# Edit following 2 lines to build with VKI Solver
-#VKISOLVER=VKI
-VKISOLVER=NONE
-
-# Edit following 2 lines to build with CASI Solver
-CASISOLVER=CASI
-if test "$MARC_CASISOLVER" = "NONE" ; then
-  CASISOLVER=NONE
-fi
-#CASISOLVER=NONE
-
-# Edit following 2 lines to build with MF2 Solver
-MF2SOLVER=NONE
-#MF2SOLVER=SERIAL
-#MF2SOLVER=MF2PARALLEL
-
-# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
-#INTELSOLVER=NONE
-INTELSOLVER=PARDISO
-
-# Edit following lines to build with MUMPS
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
- #MUMPSSOLVER=NONE
- MUMPSSOLVER=MUMPS
-else
- #MUMPSSOLVER=NONE
- MUMPSSOLVER=MUMPS
-fi
-
-# Edit following 2 lines to build MARC dynamic shared library
-MARC_DLL=MARC_DLL
-MARC_DLL=NONE
-
-# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
-if test "$_OEM_NASTRAN" -ne 0
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
- MARC_DLL=NONE
-fi
-
-#
-#  define Fortran and C compile syntax
-#
-if test "$VKISOLVER" = VKI
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DVKI"
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DCASI"
-fi
-
-if test "$MF2SOLVER" = MF2PARALLEL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
-fi
-if test "$MF2SOLVER" = MF2SERIAL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
-fi
-
-if test "$INTELSOLVER" = PARDISO
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
-fi
-
-if test "$MUMPSSOLVER" = MUMPS
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
-fi
-
-
-if test "$MARC_DLL" = MARC_DLL
-then
-  SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
-fi
-
-LINK_OPT=
-DEBUG_OPT=
-C_DEBUG_OPT=
-
-#Uncomment following line to build Marc in debuggable mode
-MARCDEBUG=
-#MARCDEBUG="ON"
-
-if test "$MARCDEBUG" = "ON"
-then
-  LINK_OPT="-debug -traceback"
-  DEBUG_OPT="-debug -traceback"
-  C_DEBUG_OPT="-debug -traceback"
-fi
-
-
-MARCCHECK=
-#MARCCHECK="ON"
-if test "$MARCCHECK" = "ON"
-then
-  DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
-  C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
-fi
-
-MARCCODECOV=
-#MARCCODECOV="ON"
-
-MARCCODEPROF=
-#MARCCODEPROF="ON"
-
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
-  I8FFLAGS="-real-size 64 -integer-size 32"
-  I8DEFINES="-DFLOAT=8 -DINT=4"
-  I8CDEFINES=
-  I8CASIDEFS=
-else
-  I8FFLAGS="-i8 -real-size 64 -integer-size 64"
-  I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
-  I8CDEFINES="-U_DOUBLE -D_SINGLE"
-  I8CASIDEFS="-DCASI_64BIT_INT=1"
-fi
-
-MTHREAD=OPENMP
-if test "$MARC_OPENMP" = "NONE" ; then
-  MTHREAD=NONE
-fi
-#MTHREAD=NONE
-if test "$_OEM_NASTRAN" -ne 0
-then
-MTHREAD=NONE
-fi
-
-OMP_COMPAT=NO
-OMP_COMPAT=YES
-if test "$MTHREAD" = "NONE"
-then
-OMP_COMPAT=NO
-fi
-
-CDEFINES=
-FDEFINES=
-
-if test "$_OEM_NASTRAN" -ne 0
-then
-  CDEFINES="$CDEFINES -D_OEM_NASTRAN"
-  FDEFINES="$FDEFINES -D_OEM_NASTRAN"
-fi
-
-FDEFINES="$FDEFINES -D_IMPLICITNONE"
-
-if test "$_OEM_NASTRAN" -eq 0
-then
-  FDEFINES="$FDEFINES -DMKL -DOPENMP"
-fi
-
-if test "$OMP_COMPAT" = "YES"
-then
-  FDEFINES="$FDEFINES -DOMP_COMPAT"
-fi
-
-# -D_MSCMARC
-FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
-CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
-
-CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
-if test "$_OEM_NASTRAN" -ne 0
-then
-  CINCL="$CINCL -I../../include"
-fi
-
-CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-
-if test "$MARCDEBUG" = "ON"
-then
-  CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-fi
-
-LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
-CCT="$CC"
-CCTLOW="$CCLOW"
-CCTHIGH="$CCHIGH"
-
-CC_CASI="$CC -std=c99 $I8CASIDEFS"
-CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
-CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-#PROFILE="-Mprof=func"
-#PROFILE="-Mprof=lines"
-#PROFILE="-Mprof=func,mpi"
-PROFILE=
-if test "$MARCCODECOV" = "ON"
-then
-PROFILE="-prof-gen=srcpos"
-fi
-if test "$MARCCODEPROF" = "ON"
-then
-PROFILE=" $PROFILE -pg"
-fi
-
-FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
-if test "$MTHREAD" = "OPENMP"
-then
-  FORT_OPT=" $FORT_OPT -qopenmp"
-  if test "$OMP_COMPAT" = "YES"
-  then
-    FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
-  fi
-else
-#  FORT_OPT=" $FORT_OPT -auto "
-  FORT_OPT=" $FORT_OPT -save -zero"
-fi
-
-FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
-#  for compiling free form f90 files. high opt, integer(4)
-FORTF90="$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: additional flags are in line 2 OpenMP flags in line 3
-DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
- -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
- -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
- -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-
-if test "$MARCDEBUG" = "ON"
-then
-  FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
-
-      # DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
-  DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -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=2017 -DDAMASKVERSION=$DAMASKVERSION \
-   -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -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=2017 -DDAMASKVERSION=$DAMASKVERSION \
-   -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES  -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2017 -DDAMASKVERSION=$DAMASKVERSION \
-   -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-
-fi
-
-FORTLOWT="$FORTLOW"
-FORTRANT="$FORTRAN"
-FORTHIGHT="$FORTHIGH"
-
-FORTRANMNF="$FCOMP -c $FDEFINES "
-CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
-
-FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
-CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
-if test "$MARC_INTEGER_SIZE" = "i8" ; then
-  CCMUMPS="$CCMUMPS -DINTSIZE64"
-fi
-
-
-BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
-NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
-NVCCLIB="ar rvl"
-NVCCLD=icc
-BCSFORTLOW="$FORTLOW   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTRAN="$FORTRAN   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORT90HIGH="$BCSFORTHIGH"
-if test "$MARCDEBUG" = "ON"
-then
-  BCSFORTRAN=$BCSFORTLOW
-  BCSFORTHIGH=$BCSFORTLOW
-  BCSFORT90HIGH=$BCSFORTLOW
-fi
-
-if test $MPITYPE != none
-then
- if test $MPITYPE = hpmpi
- then
-  LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
-  LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
- fi
-# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
-# if test $MPITYPE = intelmpi
-# then
-#  INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-#  LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-# fi
- if test $MPITYPE = intelmpi
- then
-  LOAD="ifort $PROFILE $LINK_OPT -o "
-  LOADT="ifort $PROFILE $LINK_OPT -o "
- fi
-else
- LOAD="$FCOMP $LINK_OPT -o " 
- LOADT="$FCOMP $LINK_OPT -o "
-fi
-
-if test "$MARC_DLL" = MARC_DLL
-then
- FORTLOW="$FORTLOW -fpp -fPIC"
- FORTRAN="$FORTRAN -fpp -fPIC"
- FORTHIGH="$FORTHIGH -fpp -fPIC"
- FORTRANMNF="$FORTRANMNF -fpp -fPIC"
- CC="$CC -fPIC"
- CCMNF="$CCMNF -fPIC"
- CC_CASI="$CC_CASI -fPIC"
- CCLOW_CASI="$CCLOW_CASI -fPIC"
- CCHIGH_CASI="$CCHIGH_CASI -fPIC"
- LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
- LINK_MARC_DLL="-shared -fPIC"
- LOAD_DLL=$LOAD
- LOADT_DLL=$LOADT
- EXT_DLL="so"
-fi
-
-
-XLIBS="-L/usr/X11/lib -lX11 "
-
-#
-#  define archive and ranlib syntax
-#
-
-ARC="ar rvl"
-ARD="ar dvl"
-ARX="ar xl"
-RAN=""
-
-#
-#  choose which libraries you want to use ( e.g. blas )
-#
-
-if test "$VKISOLVER" = VKI
-then
-  VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
-else
-  VKISOLVERLIBS=
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  CASISOLVERLIBS="$MARC_CASI/casilib.a"
-else
-  CASISOLVERLIBS=
-fi
-
-MF2SOLVERLIBS=
-if test "$MF2SOLVER" = MF2PARALLEL
-then
-  MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a     \
-                 $MARC_LIB/mf2parallel/libsym.a     \
-                 $MARC_LIB/mf2parallel/libmet.a     \
-                 $MARC_LIB/mf2parallel/libmf2.a     \
-                 $MARC_LIB/mf2parallel/libgauss.a   \
-                 $MARC_LIB/mf2parallel/libmf2.a     \
-                 $MARC_LIB/mf2parallel/libgauss.a   \
-                 $MARC_LIB/mf2parallel/libnum.a     \
-                 $MARC_LIB/mf2parallel/libutl.a     \
-                 $MARC_LIB/mf2parallel/libr8.a      \
-                 $MARC_LIB/mf2parallel/libz.a       "
-fi
-
-if test "$MUMPSSOLVER" = MUMPS
-then
-  MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
-  if test $MPITYPE = none
-  then
-   MUMPSSOLVERLIBS2=
-   echo hello > /dev/null
-  fi
-  if test $MPITYPE = intelmpi
-  then
-   if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
-   fi
-  fi
-  if test $MPITYPE = hpmpi
-  then
-   if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
-   fi
-  fi
-else
-  MUMPSSOLVERLIBS=
-  MUMPSSOLVERLIBS2=
-fi
-
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${MARC_LIB}/cuda       -lmarccuda "
-  MARCCUDALIBS=$MARCCUDALIBS1
-  CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
-else
-  BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
-fi
-
-if test "$MARC_INTEGER_SIZE" = "i4" ; then
- MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2  -Wl,--end-group"
-else
- MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
-fi
-
-SECLIBS="-L$MARC_LIB -llapi"
-
-SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
-  $MKLLIB -L$MARC_MKL -liomp5 \
-  $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
-
-SOLVERLIBS_DLL=${SOLVERLIBS}
-
-MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
-MRCLIBSPAR="$MARC_LIB/clib.a"
-STUBS="$MARC_LIB/stubs.a "
-MNFLIBS="$MARC_LIB/libmnf.a"
-MDUSER="$MARC_LIB/md_user.a"
-if test "X$MARC_SIMUFACT" != "X"
-then
- SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
-else
- SFLIB=" "
-fi
-
-OPENMP="-qopenmp"
-
-SYSLIBS=" $OPENMP -lpthread -cxxlib"
-
-# Uncomment the following lines to turn on the trace and comment out the next 4 lines
-# if test $MPITYPE = intelmpi
-# then
-#  SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
-#           -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
-# fi
-if test $MPITYPE = intelmpi
-then
- SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
-fi
-
-
-SYSLIBSPAR=" "
-
-MARC_DLL_CODES="runmarc.f"
-
-
-BLAS_SRC="dzero.f icopy.f izero.f"
-if test "$_OEM_NASTRAN" -ne 0
-then
-  if test "$MARC_INTEGER_SIZE" = "i4" ; then
-   BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
-  else
-   BLAS_SRC="ALL"
-  fi
-fi
-
-LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
-               omars.f fixbc.f triang.f  bet049.f norst3.f eldata.f \
-               elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
-               cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
-               inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
-if test "$MARC_INTEGER_SIZE" = "i8" ; then
-  LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
-fi
-LOW_OPT_CODES_CASI=""
-
-HIGH_OPT_CODES="dpsmsa1.f  dpsmsa2.f  dpsmsa3.f   dpsmsa4.f  dpsmsa5.f  dpsmsa6.f \
-                dpsmsa7.f  dpsmsa8.f  dpsmsa9.f  dpsmsa10.f dpsmsa11.f dpsmsa12.f \
-               dpsmsa13.f dpsmsa14.f dpsmsa15.f  dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
-
-
-HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
-
-MAXNUM=1000000

installation/mods_MarcMentat/2017/Mentat_bin/edit_window

@@ -1,5 +0,0 @@
-#!/bin/sh
-# This script opens a window running an editor.
-# The command to invoke the editor is specified during DAMASK installation
-
-%EDITOR% $*

installation/mods_MarcMentat/2017/Mentat_bin/edit_window.original

@@ -1,18 +0,0 @@
-#!/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.
-
-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 $*

installation/mods_MarcMentat/2017/Mentat_bin/kill1.original

@@ -1,8 +0,0 @@
-#!/bin/sh
-
-if [ "$1" = "" ]; then
- echo "usage: $0 job_name"
- exit 1
-fi
-
-echo STOP > $1.cnt

installation/mods_MarcMentat/2017/Mentat_bin/kill4

@@ -1,8 +0,0 @@
-#!/bin/sh
-
-if [ "$1" = "" ]; then
- echo "usage: $0 job_name"
- exit 1
-fi
-
-echo STOP > $1.cnt

installation/mods_MarcMentat/2017/Mentat_bin/kill5

@@ -1,8 +0,0 @@
-#!/bin/sh
-
-if [ "$1" = "" ]; then
- echo "usage: $0 job_name"
- exit 1
-fi
-
-echo STOP > $1.cnt

installation/mods_MarcMentat/2017/Mentat_bin/kill6

@@ -1,8 +0,0 @@
-#!/bin/sh
-
-if [ "$1" = "" ]; then
- echo "usage: $0 job_name"
- exit 1
-fi
-
-echo STOP > $1.cnt

installation/mods_MarcMentat/2017/Mentat_bin/submit1.original

@@ -1,186 +0,0 @@
-#!/bin/sh
-#
-# The exit status of this script is read by Mentat.
-# Normal exit status is 0.
-#
-
-DIR=/opt/msc/marc2017
-if test $MARCDIR1
-then
- DIR=$MARCDIR1
-fi
-
-if test -z "$DIR"; then
-  REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
-  DIRSCRIPT=`dirname $REALCOM`
-  case $DIRSCRIPT in
-    \/*)
-    ;;
-    *)
-      DIRSCRIPT=`pwd`/$DIRSCRIPT
-      ;;
-  esac
-  . $DIRSCRIPT/getarch
-
-  DIR="$MENTAT_MARCDIR"
-fi
-
-SRCEXT=.f
-SRCEXTC=.F
-RSTEXT=.t08
-PSTEXT=.t19
-PSTEXTB=.t16
-VWFCEXT=.vfs
-
-slv=$1
-version=$2
-ndom_fea_solver=$3
-ndom_preprocessor=$4
-hostfile=$5
-compat=$6
-job=$7
-srcfile=$8
-srcmeth=$9
-shift 9       # cannot use $10, $11, ...
-restart=$1
-postfile=$2
-viewfactorsfile=$3
-autorst=$4
-copy_datfile="-ci $5"
-copy_postfile="-cr $6"
-scr_dir=$7
-dcoup=$8
-assem_recov_nthread=$9
-shift 9       # cannot use $10, $11, ...
-nthread=$1
-nsolver=$2
-mode=$3
-gpu=$4
-
-if [ "$slv" != "" -a "$slv" != "marc" ]; then
-  slv="-iam sfm"
-else
-  slv=""
-fi
-
-if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
-  nprocds="-nprocds $ndom_fea_solver"
-else
-  nprocd=""
-  if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
-    nprocd="-nprocd $ndom_preprocessor"
-  else
-    nprocd=""
-  fi
-fi
-
-if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
-  srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
-  case "$srcmeth" in
-    -)
-      srcfile="-u $srcfile"
-      ;;
-    compsave)
-      srcfile="-u $srcfile -save y"
-      ;;
-    runsaved)
-      srcfile="-prog $srcfile"
-      ;;
-  esac
-else
-  srcfile=""
-fi
-
-if [ "$restart" != "" -a "$restart" != "-" ]; then
-  restart=`echo $restart | sed "s/$RSTEXT$//"`
-  restart="-r $restart"
-else
-  restart=""
-fi
-
-if [ "$postfile" != "" -a "$postfile" != "-" ]; then
-  postfile=`echo $postfile | sed "s/$PSTEXT$//"`
-  postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
-  postfile="-pid $postfile"
-else
-  postfile=""
-fi
-
-if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
-  viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
-  viewfactorsfile="-vf $viewfactorsfile"
-else
-  viewfactorsfile=""
-fi
-
-if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
-  hostfile="-ho $hostfile"
-else
-  hostfile=""
-fi
-
-if [ "$compat" != "" -a "$compat" != "-" ]; then
-  compat="-co $compat"
-else
-  compat=""
-fi
-
-if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
-  scr_dir="-sd $scr_dir"
-else
-  scr_dir=""
-fi
-
-if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
-  dcoup="-dcoup $dcoup"
-else
-  dcoup=""
-fi
-
-if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
-  assem_recov_nthread="-nthread_elem $assem_recov_nthread"
-else
-  assem_recov_nthread=""
-fi
-
-if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
-  nthread="-nthread $nthread"
-else
-  nthread=""
-fi
-
-if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
-  nsolver="-nsolver $nsolver"
-else
-  nsolver=""
-fi
-
-case "$mode" in
- 4) mode="-mo i4" ;;
- 8) mode="-mo i8" ;;
- *) mode= ;;
-esac
-
-if [ "$gpu" != "" -a "$gpu" != "-" ]; then
- gpu="-gpu $gpu"
-else
- gpu=""
-fi
-
-rm -f $job.cnt
-rm -f $job.sts
-rm -f $job.out
-rm -f $job.log
-
-# To prevent a mismatch with the python version used by the solver
-#  do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
-#  unset environment variables PYTHONHOME and PYTHONPATH
-unset PYTHONHOME
-unset PYTHONPATH
-
-"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
-                        $srcfile $restart $postfile $viewfactorsfile $hostfile \
-                        $compat $copy_datfile $copy_postfile $scr_dir $dcoup \
-                        $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
-sleep 1
-exit 0

installation/mods_MarcMentat/2017/Mentat_bin/submit4

@@ -1,187 +0,0 @@
-#!/bin/sh
-#
-# The exit status of this script is read by Mentat.
-# Normal exit status is 0.
-#
-
-DIR=%INSTALLDIR%/marc%VERSION%
-if test $MARCDIR1
-then
- DIR=$MARCDIR1
-fi
-
-if test -z "$DIR"; then
-  REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
-  DIRSCRIPT=`dirname $REALCOM`
-  case $DIRSCRIPT in
-    \/*)
-    ;;
-    *)
-      DIRSCRIPT=`pwd`/$DIRSCRIPT
-      ;;
-  esac
-  . $DIRSCRIPT/getarch
-
-  DIR="$MENTAT_MARCDIR"
-fi
-
-SRCEXT=.f
-SRCEXTC=.F
-RSTEXT=.t08
-PSTEXT=.t19
-PSTEXTB=.t16
-VWFCEXT=.vfs
-
-slv=$1
-version=$2
-ndom_fea_solver=$3
-ndom_preprocessor=$4
-hostfile=$5
-compat=$6
-job=$7
-srcfile=$8
-srcmeth=$9
-shift 9       # cannot use $10, $11, ...
-restart=$1
-postfile=$2
-viewfactorsfile=$3
-autorst=$4
-copy_datfile="-ci $5"
-copy_postfile="-cr $6"
-scr_dir=$7
-dcoup=$8
-assem_recov_nthread=$9
-shift 9       # cannot use $10, $11, ...
-nthread=$1
-nsolver=$2
-mode=$3
-gpu=$4
-
-if [ "$slv" != "" -a "$slv" != "marc" ]; then
-  slv="-iam sfm"
-else
-  slv=""
-fi
-
-if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
-  nprocds="-nprocds $ndom_fea_solver"
-else
-  nprocd=""
-  if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
-    nprocd="-nprocd $ndom_preprocessor"
-  else
-    nprocd=""
-  fi
-fi
-
-if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
-  srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
-  case "$srcmeth" in
-    -)
-      srcfile="-u $srcfile"
-      ;;
-    compsave)
-      srcfile="-u $srcfile -save y"
-      ;;
-    runsaved)
-      srcfile=${srcfile%.*}".marc"
-      srcfile="-prog $srcfile"
-      ;;
-  esac
-else
-  srcfile=""
-fi
-
-if [ "$restart" != "" -a "$restart" != "-" ]; then
-  restart=`echo $restart | sed "s/$RSTEXT$//"`
-  restart="-r $restart"
-else
-  restart=""
-fi
-
-if [ "$postfile" != "" -a "$postfile" != "-" ]; then
-  postfile=`echo $postfile | sed "s/$PSTEXT$//"`
-  postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
-  postfile="-pid $postfile"
-else
-  postfile=""
-fi
-
-if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
-  viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
-  viewfactorsfile="-vf $viewfactorsfile"
-else
-  viewfactorsfile=""
-fi
-
-if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
-  hostfile="-ho $hostfile"
-else
-  hostfile=""
-fi
-
-if [ "$compat" != "" -a "$compat" != "-" ]; then
-  compat="-co $compat"
-else
-  compat=""
-fi
-
-if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
-  scr_dir="-sd $scr_dir"
-else
-  scr_dir=""
-fi
-
-if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
-  dcoup="-dcoup $dcoup"
-else
-  dcoup=""
-fi
-
-if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
-  assem_recov_nthread="-nthread_elem $assem_recov_nthread"
-else
-  assem_recov_nthread=""
-fi
-
-if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
-  nthread="-nthread $nthread"
-else
-  nthread=""
-fi
-
-if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
-  nsolver="-nsolver $nsolver"
-else
-  nsolver=""
-fi
-
-case "$mode" in
- 4) mode="-mo i4" ;;
- 8) mode="-mo i8" ;;
- *) mode= ;;
-esac
-
-if [ "$gpu" != "" -a "$gpu" != "-" ]; then
- gpu="-gpu $gpu"
-else
- gpu=""
-fi
-
-rm -f $job.cnt
-rm -f $job.sts
-rm -f $job.out
-rm -f $job.log
-
-# To prevent a mismatch with the python version used by the solver
-#  do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
-#  unset environment variables PYTHONHOME and PYTHONPATH
-unset PYTHONHOME
-unset PYTHONPATH
-
-"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
-                        $srcfile $restart $postfile $viewfactorsfile $hostfile \
-                        $compat $copy_datfile $copy_postfile $scr_dir $dcoup \
-                        $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
-sleep 1
-exit 0

installation/mods_MarcMentat/2017/Mentat_bin/submit5

@@ -1,187 +0,0 @@
-#!/bin/sh
-#
-# The exit status of this script is read by Mentat.
-# Normal exit status is 0.
-#
-
-DIR=%INSTALLDIR%/marc%VERSION%
-if test $MARCDIR1
-then
- DIR=$MARCDIR1
-fi
-
-if test -z "$DIR"; then
-  REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
-  DIRSCRIPT=`dirname $REALCOM`
-  case $DIRSCRIPT in
-    \/*)
-    ;;
-    *)
-      DIRSCRIPT=`pwd`/$DIRSCRIPT
-      ;;
-  esac
-  . $DIRSCRIPT/getarch
-
-  DIR="$MENTAT_MARCDIR"
-fi
-
-SRCEXT=.f
-SRCEXTC=.F
-RSTEXT=.t08
-PSTEXT=.t19
-PSTEXTB=.t16
-VWFCEXT=.vfs
-
-slv=$1
-version=$2
-ndom_fea_solver=$3
-ndom_preprocessor=$4
-hostfile=$5
-compat=$6
-job=$7
-srcfile=$8
-srcmeth=$9
-shift 9       # cannot use $10, $11, ...
-restart=$1
-postfile=$2
-viewfactorsfile=$3
-autorst=$4
-copy_datfile="-ci $5"
-copy_postfile="-cr $6"
-scr_dir=$7
-dcoup=$8
-assem_recov_nthread=$9
-shift 9       # cannot use $10, $11, ...
-nthread=$1
-nsolver=$2
-mode=$3
-gpu=$4
-
-if [ "$slv" != "" -a "$slv" != "marc" ]; then
-  slv="-iam sfm"
-else
-  slv=""
-fi
-
-if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
-  nprocds="-nprocds $ndom_fea_solver"
-else
-  nprocd=""
-  if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
-    nprocd="-nprocd $ndom_preprocessor"
-  else
-    nprocd=""
-  fi
-fi
-
-if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
-  srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
-  case "$srcmeth" in
-    -)
-      srcfile="-u $srcfile"
-      ;;
-    compsave)
-      srcfile="-u $srcfile -save y"
-      ;;
-    runsaved)
-      srcfile=${srcfile%.*}".marc"
-      srcfile="-prog $srcfile"
-      ;;
-  esac
-else
-  srcfile=""
-fi
-
-if [ "$restart" != "" -a "$restart" != "-" ]; then
-  restart=`echo $restart | sed "s/$RSTEXT$//"`
-  restart="-r $restart"
-else
-  restart=""
-fi
-
-if [ "$postfile" != "" -a "$postfile" != "-" ]; then
-  postfile=`echo $postfile | sed "s/$PSTEXT$//"`
-  postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
-  postfile="-pid $postfile"
-else
-  postfile=""
-fi
-
-if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
-  viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
-  viewfactorsfile="-vf $viewfactorsfile"
-else
-  viewfactorsfile=""
-fi
-
-if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
-  hostfile="-ho $hostfile"
-else
-  hostfile=""
-fi
-
-if [ "$compat" != "" -a "$compat" != "-" ]; then
-  compat="-co $compat"
-else
-  compat=""
-fi
-
-if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
-  scr_dir="-sd $scr_dir"
-else
-  scr_dir=""
-fi
-
-if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
-  dcoup="-dcoup $dcoup"
-else
-  dcoup=""
-fi
-
-if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
-  assem_recov_nthread="-nthread_elem $assem_recov_nthread"
-else
-  assem_recov_nthread=""
-fi
-
-if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
-  nthread="-nthread $nthread"
-else
-  nthread=""
-fi
-
-if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
-  nsolver="-nsolver $nsolver"
-else
-  nsolver=""
-fi
-
-case "$mode" in
- 4) mode="-mo i4" ;;
- 8) mode="-mo i8" ;;
- *) mode= ;;
-esac
-
-if [ "$gpu" != "" -a "$gpu" != "-" ]; then
- gpu="-gpu $gpu"
-else
- gpu=""
-fi
-
-rm -f $job.cnt
-rm -f $job.sts
-rm -f $job.out
-rm -f $job.log
-
-# To prevent a mismatch with the python version used by the solver
-#  do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
-#  unset environment variables PYTHONHOME and PYTHONPATH
-unset PYTHONHOME
-unset PYTHONPATH
-
-"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
-                        $srcfile $restart $postfile $viewfactorsfile $hostfile \
-                        $compat $copy_datfile $copy_postfile $scr_dir $dcoup \
-                        $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
-sleep 1
-exit 0

installation/mods_MarcMentat/2017/Mentat_bin/submit6

@@ -1,187 +0,0 @@
-#!/bin/sh
-#
-# The exit status of this script is read by Mentat.
-# Normal exit status is 0.
-#
-
-DIR=%INSTALLDIR%/marc%VERSION%
-if test $MARCDIR1
-then
- DIR=$MARCDIR1
-fi
-
-if test -z "$DIR"; then
-  REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
-  DIRSCRIPT=`dirname $REALCOM`
-  case $DIRSCRIPT in
-    \/*)
-    ;;
-    *)
-      DIRSCRIPT=`pwd`/$DIRSCRIPT
-      ;;
-  esac
-  . $DIRSCRIPT/getarch
-
-  DIR="$MENTAT_MARCDIR"
-fi
-
-SRCEXT=.f
-SRCEXTC=.F
-RSTEXT=.t08
-PSTEXT=.t19
-PSTEXTB=.t16
-VWFCEXT=.vfs
-
-slv=$1
-version=$2
-ndom_fea_solver=$3
-ndom_preprocessor=$4
-hostfile=$5
-compat=$6
-job=$7
-srcfile=$8
-srcmeth=$9
-shift 9       # cannot use $10, $11, ...
-restart=$1
-postfile=$2
-viewfactorsfile=$3
-autorst=$4
-copy_datfile="-ci $5"
-copy_postfile="-cr $6"
-scr_dir=$7
-dcoup=$8
-assem_recov_nthread=$9
-shift 9       # cannot use $10, $11, ...
-nthread=$1
-nsolver=$2
-mode=$3
-gpu=$4
-
-if [ "$slv" != "" -a "$slv" != "marc" ]; then
-  slv="-iam sfm"
-else
-  slv=""
-fi
-
-if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
-  nprocds="-nprocds $ndom_fea_solver"
-else
-  nprocd=""
-  if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
-    nprocd="-nprocd $ndom_preprocessor"
-  else
-    nprocd=""
-  fi
-fi
-
-if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
-  srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
-  case "$srcmeth" in
-    -)
-      srcfile="-u $srcfile"
-      ;;
-    compsave)
-      srcfile="-u $srcfile -save y"
-      ;;
-    runsaved)
-      srcfile=${srcfile%.*}".marc"
-      srcfile="-prog $srcfile"
-      ;;
-  esac
-else
-  srcfile=""
-fi
-
-if [ "$restart" != "" -a "$restart" != "-" ]; then
-  restart=`echo $restart | sed "s/$RSTEXT$//"`
-  restart="-r $restart"
-else
-  restart=""
-fi
-
-if [ "$postfile" != "" -a "$postfile" != "-" ]; then
-  postfile=`echo $postfile | sed "s/$PSTEXT$//"`
-  postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
-  postfile="-pid $postfile"
-else
-  postfile=""
-fi
-
-if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
-  viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
-  viewfactorsfile="-vf $viewfactorsfile"
-else
-  viewfactorsfile=""
-fi
-
-if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
-  hostfile="-ho $hostfile"
-else
-  hostfile=""
-fi
-
-if [ "$compat" != "" -a "$compat" != "-" ]; then
-  compat="-co $compat"
-else
-  compat=""
-fi
-
-if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
-  scr_dir="-sd $scr_dir"
-else
-  scr_dir=""
-fi
-
-if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
-  dcoup="-dcoup $dcoup"
-else
-  dcoup=""
-fi
-
-if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
-  assem_recov_nthread="-nthread_elem $assem_recov_nthread"
-else
-  assem_recov_nthread=""
-fi
-
-if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
-  nthread="-nthread $nthread"
-else
-  nthread=""
-fi
-
-if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
-  nsolver="-nsolver $nsolver"
-else
-  nsolver=""
-fi
-
-case "$mode" in
- 4) mode="-mo i4" ;;
- 8) mode="-mo i8" ;;
- *) mode= ;;
-esac
-
-if [ "$gpu" != "" -a "$gpu" != "-" ]; then
- gpu="-gpu $gpu"
-else
- gpu=""
-fi
-
-rm -f $job.cnt
-rm -f $job.sts
-rm -f $job.out
-rm -f $job.log
-
-# To prevent a mismatch with the python version used by the solver
-#  do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
-#  unset environment variables PYTHONHOME and PYTHONPATH
-unset PYTHONHOME
-unset PYTHONPATH
-
-"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
-                        $srcfile $restart $postfile $viewfactorsfile $hostfile \
-                        $compat $copy_datfile $copy_postfile $scr_dir $dcoup \
-                        $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
-sleep 1
-exit 0

installation/mods_MarcMentat/2018.1/Marc_tools/include_linux64

@@ -1,17 +1,17 @@
 #
-#                 General definitions for the Marc 2016 version
+#                 General definitions for the Marc 2018.1 version
 #
 #                         EM64T
 #
-#                         Linux RedHat 6.3 / SuSE 11
+#                         Linux RedHat 7.1 / SuSE 11 SP4
 #
 #                         64 bit MPI version
 #
 #                         Intel(R) Fortran Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 15.0.0.090 Build 20140723
+#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
 #
 #                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 15.0.0.090 Build 20140723
+#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
 #
 #                         To check the O/S level, type:
 #                           uname -a
@@ -20,7 +20,7 @@
 #                         1) HP MPI 2.3
 #                             To check the mpi version, type:
 #                               mpirun -version
-#                         2) Intel MPI 5.1.3
+#                         2) Intel MPI 2017.1
 #                             To check the mpi version, type:
 #                               mpiexec.hydra -version
 #
@@ -64,7 +64,7 @@ else
 fi
 
 FCOMP=ifort
-INTELPATH="/opt/intel/composer_xe_2015.0.090"
+INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
 
 # find the root directory of the compiler installation:
 # - if ifort is found in $PATH, then the root directory is derived
@@ -99,14 +99,25 @@ else
  FCOMPROOT=
 fi
 
+# AEM
+if test "$MARCDLLOUTDIR" = ""; then
+ DLLOUTDIR="$MARC_LIB"
+else
+ DLLOUTDIR="$MARCDLLOUTDIR"
+fi
+
 # settings for MKL
-MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
+if test "$IMKLDIR" = ""; then
+  MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
+else
+  MARC_MKL=$IMKLDIR/lib/intel64
+fi
 
 #
 # settings for Metis
 #
 METIS="-I$METIS_SOURCE/include"
-METISLIBS="$MARC_LIB/metis.a "
+METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
 
 #
 # settings for MPI
@@ -149,13 +160,31 @@ fi
 #BCSGPUSOLVER=NONE
 BCSGPUSOLVER=BCSGPU
 
+# Edit following lines to set the openssl library
+if test "$OPENSSL" != "NONE" 
+then
+  OPENSSL_LIB="$MARC_LIB/libcrypto.a"
+fi
+OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
+
+# activate contact component build if flagged
+AEM_DLL=0
+if test "$AEM_BUILD" = "ON" ; then
+ AEM_DLL=1
+ LINK_MARC_DLL="-shared -fPIC"
+ EXT_DLL="so"
+ MPITYPE=none
+ MPI_OTHER=
+ BCSGPUSOLVER=NONE
+ MUMPSSOLVER=NONE
+ CASISOLVER=NONE
+fi
+
 SOLVERFLAGS=
 if test "$BCSGPUSOLVER" = BCSGPU
 then
   SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
   BCS_DIR=bcsgpusolver
-  export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
-  export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
 else
   BCS_DIR=bcssolver
 fi
@@ -198,18 +227,18 @@ then
   INTELMPI_VERSION=HYDRA
   FCOMPMPI=mpiifort
   MPI_ROOT=$MARC_INTELMPI
-  DDM="-I${MPI_ROOT}/include64 -DDDM"
+  DDM="-I${MPI_ROOT}/include -DDDM"
-  PATH=$MPI_ROOT/bin64:$PATH
+  PATH=$MPI_ROOT/bin:$PATH
   export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
+  LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
   export LD_LIBRARY_PATH
   if test $INTELMPI_VERSION = HYDRA
   then
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
+    RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
+    RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
   else
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
+    RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
+    RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
   fi
   RUN_JOB0=
   MPI_CLEAN=
@@ -283,6 +312,15 @@ then
  BCSGPUSOLVER=NONE
  MARC_DLL=NONE
 fi
+if test "$AEM_DLL" -eq 1
+then
+ VKISOLVER=NONE
+ CASISOLVER=NONE
+ MF2SOLVER=NONE
+ INTELSOLVER=NONE
+ MUMPSSOLVER=NONE
+ BCSGPUSOLVER=NONE
+fi
 
 #
 #  define Fortran and C compile syntax
@@ -356,12 +394,10 @@ if test "$MARC_INTEGER_SIZE" = "i4" ; then
   I8FFLAGS="-real-size 64 -integer-size 32"
   I8DEFINES="-DFLOAT=8 -DINT=4"
   I8CDEFINES=
-  I8CASIDEFS=
 else
   I8FFLAGS="-i8 -real-size 64 -integer-size 64"
   I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
   I8CDEFINES="-U_DOUBLE -D_SINGLE"
-  I8CASIDEFS="-DCASI_64BIT_INT=1"
 fi
 
 MTHREAD=OPENMP
@@ -373,6 +409,18 @@ if test "$_OEM_NASTRAN" -ne 0
 then
 MTHREAD=NONE
 fi
+if test "$AEM_DLL" -eq 1
+then
+ MTHREAD=NONE
+ CASISOLVER=NONE
+ VKISOLVER=NONE
+ MF2SOLVER=NONE
+ INTELSOLVER=NONE
+ BCSGPUSOLVER=NONE
+ OPENSSL_LIB=
+ MARC_DLL=NONE
+ METISLIBS=
+fi
 
 OMP_COMPAT=NO
 OMP_COMPAT=YES
@@ -406,40 +454,45 @@ fi
 FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
 CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
 
+if test "$AEM_DLL" -eq 1
+then
+ FDEFINES="$FDEFINES -D_AEMNL -DAAA"
+ CDEFINES="$CDEFINES -D_AEMNL -DAAA"
+fi
+
 CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
 if test "$_OEM_NASTRAN" -ne 0
 then
   CINCL="$CINCL -I../../include"
 fi
 
-CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+CC_OPT=
-CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+if test "$MTHREAD" = "OPENMP"
-CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+then
+  CC_OPT=" $CC_OPT -qopenmp"
+fi
+
+CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
 
 if test "$MARCDEBUG" = "ON"
 then
-  CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+  CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+  CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS "
+  CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
 fi
 
-LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
+LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
 CCT="$CC"
 CCTLOW="$CCLOW"
 CCTHIGH="$CCHIGH"
 
-CC_CASI="$CC -std=c99 $I8CASIDEFS"
-CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
-CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
 #PROFILE="-Mprof=func"
 #PROFILE="-Mprof=lines"
 #PROFILE="-Mprof=func,mpi"
 PROFILE=
+#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
 if test "$MARCCODECOV" = "ON"
 then
 PROFILE="-prof-gen=srcpos"
@@ -449,7 +502,7 @@ then
 PROFILE=" $PROFILE -pg"
 fi
 
-FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
+FORT_OPT="-c -implicitnone -stand f08 -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"
@@ -463,13 +516,15 @@ else
 fi
 
 FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+#  for compiling free form f90 files. high opt, integer(4)
+FORTF90="$FCOMP -c -O3"
 
 # determine DAMASK version
 if test -n "$DAMASK_USER"; then
@@ -480,46 +535,54 @@ else
   DAMASKVERSION="'N/A'"
 fi
 
+if test "$DAMASK_HDF5" = "ON";then
+  DFCOMP="$(h5fc -show) -DDAMASKHDF5"
+else
+  DFCOMP=$FCOMP
+fi
+
+#
 # DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
-DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O0 $I8FFLAGS -I$MARC_SOURCE/common \
+DFORTLOWMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
  -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O1 $I8FFLAGS -I$MARC_SOURCE/common \
+DFORTRANMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
  -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
+DFORTHIGHMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
- -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
+ -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
  -qopenmp -qopenmp-threadprivate=compat\
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+
 
 if test "$MARCDEBUG" = "ON"
 then
   FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+fi
 
       # DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
-  DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  $I8FFLAGS -I$MARC_SOURCE/common \
+  DFORTLOWMP="$DFCOMP -c -implicitnone -stand f08 -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=2016 -DDAMASKVERSION=$DAMASKVERSION \
+   -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
    -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  $I8FFLAGS -I$MARC_SOURCE/common \
+  DFORTRANMP="$DFCOMP -c -implicitnone -stand f08 -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=2016 -DDAMASKVERSION=$DAMASKVERSION \
+   -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
    -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES  -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES  -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
+  DFORTHIGHMP="$DFCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB  -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
+   -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
    -qopenmp -qopenmp-threadprivate=compat\
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 
-fi
 
 FORTLOWT="$FORTLOW"
 FORTRANT="$FORTRAN"
@@ -528,25 +591,6 @@ FORTHIGHT="$FORTHIGH"
 FORTRANMNF="$FCOMP -c $FDEFINES "
 CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
 
-FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main"
-CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
-
-
-BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
-NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
-NVCCLIB="ar rvl"
-NVCCLD=icc
-BCSFORTLOW="$FORTLOW   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTRAN="$FORTRAN   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORT90HIGH="$BCSFORTHIGH"
-if test "$MARCDEBUG" = "ON"
-then
-  BCSFORTRAN=$BCSFORTLOW
-  BCSFORTHIGH=$BCSFORTLOW
-  BCSFORT90HIGH=$BCSFORTLOW
-fi
-
 if test $MPITYPE != none
 then
  if test $MPITYPE = hpmpi
@@ -557,9 +601,9 @@ then
 # Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
 # if test $MPITYPE = intelmpi
 # then
-#  INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
+#  INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
+#  LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-#  LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
+#  LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
 # fi
  if test $MPITYPE = intelmpi
  then
@@ -579,9 +623,6 @@ then
  FORTRANMNF="$FORTRANMNF -fpp -fPIC"
  CC="$CC -fPIC"
  CCMNF="$CCMNF -fPIC"
- CC_CASI="$CC_CASI -fPIC"
- CCLOW_CASI="$CCLOW_CASI -fPIC"
- CCHIGH_CASI="$CCHIGH_CASI -fPIC"
  LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
  LINK_MARC_DLL="-shared -fPIC"
  LOAD_DLL=$LOAD
@@ -589,6 +630,21 @@ then
  EXT_DLL="so"
 fi
 
+if test "$AEM_DLL" -eq 1
+then
+ FORTLOW="$FORTLOW -fpp -fPIC"
+ FORTRAN="$FORTRAN -fpp -fPIC"
+ FORTHIGH="$FORTHIGH -fpp -fPIC"
+ FORTRANMNF="$FORTRANMNF -fpp -fPIC"
+ CC="$CC -fPIC"
+ CCMNF="$CCMNF -fPIC"
+ LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
+ LINK_MARC_DLL="-shared -fPIC"
+ LOAD_DLL=$LOAD
+ LOADT_DLL=$LOADT
+ EXT_DLL="so"
+fi
+
 
 XLIBS="-L/usr/X11/lib -lX11 "
 
@@ -614,7 +670,7 @@ fi
 
 if test "$CASISOLVER" = CASI
 then
-  CASISOLVERLIBS="$MARC_CASI/casilib.a"
+  CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
 else
   CASISOLVERLIBS=
 fi
@@ -637,7 +693,7 @@ fi
 
 if test "$MUMPSSOLVER" = MUMPS
 then
-  MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+  MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
   if test $MPITYPE = none
   then
    MUMPSSOLVERLIBS2=
@@ -654,9 +710,9 @@ then
   if test $MPITYPE = hpmpi
   then
    if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
+    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
    else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
+    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
    fi
   fi
 else
@@ -666,29 +722,35 @@ fi
 
 if test "$BCSGPUSOLVER" = BCSGPU
 then
-  BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
+  BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
+  MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${MARC_LIB}/cuda       -lmarccuda "
+  MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda       -lmarccuda "
   MARCCUDALIBS=$MARCCUDALIBS1
-  CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
 else
   BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
 fi
+if test "$AEM_DLL" -eq 1
+then
+  BCSSOLVERLIBS=
+fi
 
 if test "$MARC_INTEGER_SIZE" = "i4" ; then
- MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a  -Wl,--end-group"
+ MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
 else
- MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a -Wl,--end-group"
+ MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
 fi
 
 SECLIBS="-L$MARC_LIB -llapi"
 
-SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \
+SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
   $MKLLIB -L$MARC_MKL -liomp5 \
-  $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a "
+  $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
 
 SOLVERLIBS_DLL=${SOLVERLIBS}
-
+if test "$AEM_DLL" -eq 1
+then
+SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
+fi
 MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
 MRCLIBSPAR="$MARC_LIB/clib.a"
 STUBS="$MARC_LIB/stubs.a "
@@ -703,7 +765,15 @@ fi
 
 OPENMP="-qopenmp"
 
-SYSLIBS=" $OPENMP -lpthread "
+if test "$AEM_DLL" -eq 1
+then
+ LOAD_DLL=$LOAD
+ OPENMP=
+ LIBMNF=
+ OPENSSL=NONE
+fi
+
+SYSLIBS=" $OPENMP -lpthread -cxxlib"
 
 # Uncomment the following lines to turn on the trace and comment out the next 4 lines
 # if test $MPITYPE = intelmpi
@@ -713,7 +783,7 @@ SYSLIBS=" $OPENMP -lpthread "
 # fi
 if test $MPITYPE = intelmpi
 then
- SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread "
+ SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
 fi
 
 
@@ -740,13 +810,11 @@ LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
 if test "$MARC_INTEGER_SIZE" = "i8" ; then
   LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
 fi
-LOW_OPT_CODES_CASI=""
 
 HIGH_OPT_CODES="dpsmsa1.f  dpsmsa2.f  dpsmsa3.f   dpsmsa4.f  dpsmsa5.f  dpsmsa6.f \
                 dpsmsa7.f  dpsmsa8.f  dpsmsa9.f  dpsmsa10.f dpsmsa11.f dpsmsa12.f \
                dpsmsa13.f dpsmsa14.f dpsmsa15.f  dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
 
 
-HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
 
 MAXNUM=1000000

installation/mods_MarcMentat/2018.1/Marc_tools/include_linux64.original

@@ -1,17 +1,17 @@
 #
-#                 General definitions for the Marc 2017 version
+#                 General definitions for the Marc 2018.1 version
 #
 #                         EM64T
 #
-#                         Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
+#                         Linux RedHat 7.1 / SuSE 11 SP4
 #
 #                         64 bit MPI version
 #
 #                         Intel(R) Fortran Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 16.0.2.181 Build 20160204
+#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
 #
 #                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 16.0.2.181 Build 20160204
+#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
 #
 #                         To check the O/S level, type:
 #                           uname -a
@@ -20,7 +20,7 @@
 #                         1) HP MPI 2.3
 #                             To check the mpi version, type:
 #                               mpirun -version
-#                         2) Intel MPI 5.1.3
+#                         2) Intel MPI 2017.1
 #                             To check the mpi version, type:
 #                               mpiexec.hydra -version
 #
@@ -64,7 +64,7 @@ else
 fi
 
 FCOMP=ifort
-INTELPATH="/opt/intel/compilers_and_libraries_2016/linux"
+INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
 
 # find the root directory of the compiler installation:
 # - if ifort is found in $PATH, then the root directory is derived
@@ -99,14 +99,25 @@ else
  FCOMPROOT=
 fi
 
+# AEM
+if test "$MARCDLLOUTDIR" = ""; then
+ DLLOUTDIR="$MARC_LIB"
+else
+ DLLOUTDIR="$MARCDLLOUTDIR"
+fi
+
 # settings for MKL
-MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
+if test "$IMKLDIR" = ""; then
+  MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
+else
+  MARC_MKL=$IMKLDIR/lib/intel64
+fi
 
 #
 # settings for Metis
 #
 METIS="-I$METIS_SOURCE/include"
-METISLIBS="$MARC_LIB/metis.a "
+METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
 
 #
 # settings for MPI
@@ -156,14 +167,24 @@ then
 fi
 OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
 
+# activate contact component build if flagged
+AEM_DLL=0
+if test "$AEM_BUILD" = "ON" ; then
+ AEM_DLL=1
+ LINK_MARC_DLL="-shared -fPIC"
+ EXT_DLL="so"
+ MPITYPE=none
+ MPI_OTHER=
+ BCSGPUSOLVER=NONE
+ MUMPSSOLVER=NONE
+ CASISOLVER=NONE
+fi
 
 SOLVERFLAGS=
 if test "$BCSGPUSOLVER" = BCSGPU
 then
   SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
   BCS_DIR=bcsgpusolver
-  export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
-  export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
 else
   BCS_DIR=bcssolver
 fi
@@ -206,18 +227,18 @@ then
   INTELMPI_VERSION=HYDRA
   FCOMPMPI=mpiifort
   MPI_ROOT=$MARC_INTELMPI
-  DDM="-I${MPI_ROOT}/include64 -DDDM"
+  DDM="-I${MPI_ROOT}/include -DDDM"
-  PATH=$MPI_ROOT/bin64:$PATH
+  PATH=$MPI_ROOT/bin:$PATH
   export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
+  LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
   export LD_LIBRARY_PATH
   if test $INTELMPI_VERSION = HYDRA
   then
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
+    RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
+    RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
   else
-    RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
+    RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
+    RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
   fi
   RUN_JOB0=
   MPI_CLEAN=
@@ -291,6 +312,15 @@ then
  BCSGPUSOLVER=NONE
  MARC_DLL=NONE
 fi
+if test "$AEM_DLL" -eq 1
+then
+ VKISOLVER=NONE
+ CASISOLVER=NONE
+ MF2SOLVER=NONE
+ INTELSOLVER=NONE
+ MUMPSSOLVER=NONE
+ BCSGPUSOLVER=NONE
+fi
 
 #
 #  define Fortran and C compile syntax
@@ -364,12 +394,10 @@ if test "$MARC_INTEGER_SIZE" = "i4" ; then
   I8FFLAGS=
   I8DEFINES=
   I8CDEFINES=
-  I8CASIDEFS=
 else
   I8FFLAGS="-i8"
   I8DEFINES="-DI64"
   I8CDEFINES="-U_DOUBLE -D_SINGLE"
-  I8CASIDEFS="-DCASI_64BIT_INT=1"
 fi
 
 MTHREAD=OPENMP
@@ -381,6 +409,18 @@ if test "$_OEM_NASTRAN" -ne 0
 then
 MTHREAD=NONE
 fi
+if test "$AEM_DLL" -eq 1
+then
+ MTHREAD=NONE
+ CASISOLVER=NONE
+ VKISOLVER=NONE
+ MF2SOLVER=NONE
+ INTELSOLVER=NONE
+ BCSGPUSOLVER=NONE
+ OPENSSL_LIB=
+ MARC_DLL=NONE
+ METISLIBS=
+fi
 
 OMP_COMPAT=NO
 OMP_COMPAT=YES
@@ -414,40 +454,45 @@ fi
 FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
 CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
 
+if test "$AEM_DLL" -eq 1
+then
+ FDEFINES="$FDEFINES -D_AEMNL -DAAA"
+ CDEFINES="$CDEFINES -D_AEMNL -DAAA"
+fi
+
 CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
 if test "$_OEM_NASTRAN" -ne 0
 then
   CINCL="$CINCL -I../../include"
 fi
 
-CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+CC_OPT=
-CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+if test "$MTHREAD" = "OPENMP"
-CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+then
+  CC_OPT=" $CC_OPT -qopenmp"
+fi
+
+CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
 
 if test "$MARCDEBUG" = "ON"
 then
-  CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+  CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+  CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-  CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
+  CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
 fi
 
-LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
+LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
 CCT="$CC"
 CCTLOW="$CCLOW"
 CCTHIGH="$CCHIGH"
 
-CC_CASI="$CC -std=c99 $I8CASIDEFS"
-CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
-CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
-CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
-CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
-
 #PROFILE="-Mprof=func"
 #PROFILE="-Mprof=lines"
 #PROFILE="-Mprof=func,mpi"
 PROFILE=
+#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
 if test "$MARCCODECOV" = "ON"
 then
 PROFILE="-prof-gen=srcpos"
@@ -471,26 +516,26 @@ else
 fi
 
 FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
 FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
- -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
 #  for compiling free form f90 files. high opt, integer(4)
 FORTF90="$FCOMP -c -O3"
 
 if test "$MARCDEBUG" = "ON"
 then
   FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
   FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-   -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
+    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
 fi
 
 FORTLOWT="$FORTLOW"
@@ -500,27 +545,6 @@ FORTHIGHT="$FORTHIGH"
 FORTRANMNF="$FCOMP -c $FDEFINES "
 CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
 
-FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
-CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
-if test "$MARC_INTEGER_SIZE" = "i8" ; then
-  CCMUMPS="$CCMUMPS -DINTSIZE64"
-fi
-
-BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
-NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
-NVCCLIB="ar rvl"
-NVCCLD=icc
-BCSFORTLOW="$FORTLOW   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTRAN="$FORTRAN   -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
-BCSFORT90HIGH="$BCSFORTHIGH"
-if test "$MARCDEBUG" = "ON"
-then
-  BCSFORTRAN=$BCSFORTLOW
-  BCSFORTHIGH=$BCSFORTLOW
-  BCSFORT90HIGH=$BCSFORTLOW
-fi
-
 if test $MPITYPE != none
 then
  if test $MPITYPE = hpmpi
@@ -531,9 +555,9 @@ then
 # Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
 # if test $MPITYPE = intelmpi
 # then
-#  INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
+#  INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
+#  LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
-#  LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
+#  LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
 # fi
  if test $MPITYPE = intelmpi
  then
@@ -553,9 +577,6 @@ then
  FORTRANMNF="$FORTRANMNF -fpp -fPIC"
  CC="$CC -fPIC"
  CCMNF="$CCMNF -fPIC"
- CC_CASI="$CC_CASI -fPIC"
- CCLOW_CASI="$CCLOW_CASI -fPIC"
- CCHIGH_CASI="$CCHIGH_CASI -fPIC"
  LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
  LINK_MARC_DLL="-shared -fPIC"
  LOAD_DLL=$LOAD
@@ -563,6 +584,21 @@ then
  EXT_DLL="so"
 fi
 
+if test "$AEM_DLL" -eq 1
+then
+ FORTLOW="$FORTLOW -fpp -fPIC"
+ FORTRAN="$FORTRAN -fpp -fPIC"
+ FORTHIGH="$FORTHIGH -fpp -fPIC"
+ FORTRANMNF="$FORTRANMNF -fpp -fPIC"
+ CC="$CC -fPIC"
+ CCMNF="$CCMNF -fPIC"
+ LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
+ LINK_MARC_DLL="-shared -fPIC"
+ LOAD_DLL=$LOAD
+ LOADT_DLL=$LOADT
+ EXT_DLL="so"
+fi
+
 
 XLIBS="-L/usr/X11/lib -lX11 "
 
@@ -588,7 +624,7 @@ fi
 
 if test "$CASISOLVER" = CASI
 then
-  CASISOLVERLIBS="$MARC_CASI/casilib.a"
+  CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
 else
   CASISOLVERLIBS=
 fi
@@ -611,7 +647,7 @@ fi
 
 if test "$MUMPSSOLVER" = MUMPS
 then
-  MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+  MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
   if test $MPITYPE = none
   then
    MUMPSSOLVERLIBS2=
@@ -628,9 +664,9 @@ then
   if test $MPITYPE = hpmpi
   then
    if test "$MARC_INTEGER_SIZE" = "i4" ; then
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
+    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
    else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
+    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
    fi
   fi
 else
@@ -640,19 +676,22 @@ fi
 
 if test "$BCSGPUSOLVER" = BCSGPU
 then
-  BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
+  BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
+  MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${MARC_LIB}/cuda       -lmarccuda "
+  MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda       -lmarccuda "
   MARCCUDALIBS=$MARCCUDALIBS1
-  CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
 else
   BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
 fi
+if test "$AEM_DLL" -eq 1
+then
+  BCSSOLVERLIBS=
+fi
 
 if test "$MARC_INTEGER_SIZE" = "i4" ; then
- MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  $MARC_MKL/libmkl_blacs_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
+ MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a  -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a  $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
 else
- MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
+ MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
 fi
 
 SECLIBS="-L$MARC_LIB -llapi"
@@ -662,7 +701,10 @@ SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS}
   $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
 
 SOLVERLIBS_DLL=${SOLVERLIBS}
-
+if test "$AEM_DLL" -eq 1
+then
+SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
+fi
 MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
 MRCLIBSPAR="$MARC_LIB/clib.a"
 STUBS="$MARC_LIB/stubs.a "
@@ -677,6 +719,14 @@ fi
 
 OPENMP="-qopenmp"
 
+if test "$AEM_DLL" -eq 1
+then
+ LOAD_DLL=$LOAD
+ OPENMP=
+ LIBMNF=
+ OPENSSL=NONE
+fi
+
 SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
 
 # Uncomment the following lines to turn on the trace and comment out the next 4 lines
@@ -687,7 +737,7 @@ SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
 # fi
 if test $MPITYPE = intelmpi
 then
- SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
+ SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
 fi
 
 
@@ -714,13 +764,11 @@ LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
 if test "$MARC_INTEGER_SIZE" = "i8" ; then
   LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
 fi
-LOW_OPT_CODES_CASI=""
 
 HIGH_OPT_CODES="dpsmsa1.f  dpsmsa2.f  dpsmsa3.f   dpsmsa4.f  dpsmsa5.f  dpsmsa6.f \
                 dpsmsa7.f  dpsmsa8.f  dpsmsa9.f  dpsmsa10.f dpsmsa11.f dpsmsa12.f \
                dpsmsa13.f dpsmsa14.f dpsmsa15.f  dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
 
 
-HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
 
 MAXNUM=1000000

installation/mods_MarcMentat/2018.1/Marc_tools/run_damask_hmp

@@ -374,6 +374,12 @@ fi
 # the one for IBM is defined futher down
 
 LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH
+if test -f "/etc/redhat-release"; then
+  ver=`cat /etc/redhat-release | sed 's/.* release \([0-9]\).\([0-9]\+\) .*/\1\2/'`
+  case "$ver" in
+    6*) LD_LIBRARY_PATH="${MARC_LIB_SHARED}rh67:$LD_LIBRARY_PATH" ;;
+  esac
+fi
 LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$MESHERDIR:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$SFMATDIR:$LD_LIBRARY_PATH
@@ -533,7 +539,7 @@ if test -n "$value"; then
     . $MARC_INCLUDE
     MDSRCLIB=$MARC_LIB/mdsrc.a_$value
     if test "$MUMPSSOLVER" = MUMPS; then
-     MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+     MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
     fi
   fi
 fi
@@ -807,14 +813,14 @@ do
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a_$value
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
                          fi
                         else
                          exefile=marc
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
                          fi
                         fi
                 ;;

installation/mods_MarcMentat/2018.1/Marc_tools/run_damask_lmp

@@ -374,6 +374,12 @@ fi
 # the one for IBM is defined futher down
 
 LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH
+if test -f "/etc/redhat-release"; then
+  ver=`cat /etc/redhat-release | sed 's/.* release \([0-9]\).\([0-9]\+\) .*/\1\2/'`
+  case "$ver" in
+    6*) LD_LIBRARY_PATH="${MARC_LIB_SHARED}rh67:$LD_LIBRARY_PATH" ;;
+  esac
+fi
 LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$MESHERDIR:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$SFMATDIR:$LD_LIBRARY_PATH
@@ -533,7 +539,7 @@ if test -n "$value"; then
     . $MARC_INCLUDE
     MDSRCLIB=$MARC_LIB/mdsrc.a_$value
     if test "$MUMPSSOLVER" = MUMPS; then
-     MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+     MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
     fi
   fi
 fi
@@ -807,14 +813,14 @@ do
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a_$value
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
                          fi
                         else
                          exefile=marc
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
                          fi
                         fi
                 ;;

installation/mods_MarcMentat/2018.1/Marc_tools/run_damask_mp

@@ -374,6 +374,12 @@ fi
 # the one for IBM is defined futher down
 
 LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH
+if test -f "/etc/redhat-release"; then
+  ver=`cat /etc/redhat-release | sed 's/.* release \([0-9]\).\([0-9]\+\) .*/\1\2/'`
+  case "$ver" in
+    6*) LD_LIBRARY_PATH="${MARC_LIB_SHARED}rh67:$LD_LIBRARY_PATH" ;;
+  esac
+fi
 LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$MESHERDIR:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$SFMATDIR:$LD_LIBRARY_PATH
@@ -533,7 +539,7 @@ if test -n "$value"; then
     . $MARC_INCLUDE
     MDSRCLIB=$MARC_LIB/mdsrc.a_$value
     if test "$MUMPSSOLVER" = MUMPS; then
-     MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+     MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
     fi
   fi
 fi
@@ -807,14 +813,14 @@ do
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a_$value
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
                          fi
                         else
                          exefile=marc
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
                          fi
                         fi
                 ;;

installation/mods_MarcMentat/2018.1/Marc_tools/run_marc.original

@@ -358,6 +358,12 @@ fi
 # the one for IBM is defined futher down
 
 LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH
+if test -f "/etc/redhat-release"; then
+  ver=`cat /etc/redhat-release | sed 's/.* release \([0-9]\).\([0-9]\+\) .*/\1\2/'`
+  case "$ver" in
+    6*) LD_LIBRARY_PATH="${MARC_LIB_SHARED}rh67:$LD_LIBRARY_PATH" ;;
+  esac
+fi
 LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$MESHERDIR:$LD_LIBRARY_PATH
 LD_LIBRARY_PATH=$SFMATDIR:$LD_LIBRARY_PATH
@@ -517,7 +523,7 @@ if test -n "$value"; then
     . $MARC_INCLUDE
     MDSRCLIB=$MARC_LIB/mdsrc.a_$value
     if test "$MUMPSSOLVER" = MUMPS; then
-     MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+     MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
     fi
   fi
 fi
@@ -822,14 +828,14 @@ do
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a_$value
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a_$value"
                          fi
                         else
                          exefile=marc
                          . $MARC_INCLUDE
                          MDSRCLIB=$MARC_LIB/mdsrc.a
                          if test "$MUMPSSOLVER" = MUMPS; then
-                          MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
+                          MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
                          fi
                         fi
                 ;;

installation/mods_MarcMentat/2018.1/Mentat_bin/submit1.original

@@ -4,7 +4,7 @@
 # Normal exit status is 0.
 #
 
-DIR=/msc/marc2016
+DIR=/nethome/f.roters/temp/msc/marc2018.1
 if test $MARCDIR1
 then
  DIR=$MARCDIR1

installation/mods_MarcMentat/2018.1/Mentat_menus/job_run.ms

@@ -2,11 +2,9 @@
 popmenu job_title_pm                file jobs.ms
 popdown job_title_ok                file jobs.ms
 
-group job_solver_gr                 file job_common.ms
 group user_domains_gr               file domain_decomposition.ms
 group user_domains_generate_gr      file domain_decomposition.ms
 group user_domains_tail_gr          file domain_decomposition.ms
-group job_solver_opts_gr            file job_common.ms
 group matrix_solver_gr              file job_common.ms
 popmenu ddm_options                 file job_common.ms
 
@@ -277,7 +275,7 @@ popmenu job_run_popmenu {
    text "ADVANCED JOB SUBMISSION"
    popmenu job_submit_adv_pm
   }
-
+  
    button {
    position +16 =
    size 18 6
@@ -384,7 +382,7 @@ popmenu job_run_popmenu {
    border_color black
   }
 
-  float {
+  display {
    position +32 =
    size 18 4
    display "job_time"
@@ -714,12 +712,15 @@ popmenu job_submit_adv_pm {
     roller {
      position +9 =
      size 14 4
-     nvalues 23
+     nvalues 26
-     nvisible 23
+     nvisible 26
      texts "DEFAULT"
 #if 0
-           "2017"
+           "2018.1"
 #endif
+           "2018"
+           "2017.1"
+           "2017"
            "2016"
            "2015"
            "2014.2"
@@ -748,8 +749,11 @@ popmenu job_submit_adv_pm {
      help job_param_version
      rollers "job_input_version_default"
 #if 0
-             "job_input_version_2017"
+             "job_input_version_2018.1"
 #endif
+             "job_input_version_2018"
+             "job_input_version_2017.1"
+             "job_input_version_2017"
              "job_input_version_2016"
              "job_input_version_2015"
              "job_input_version_2014.2"
@@ -777,8 +781,11 @@ popmenu job_submit_adv_pm {
              "job_input_version_k4"
   commands "*job_option version:default"
 #if 0
-           "*job_option version:2017"
+           "*job_option version:2018.1"
 #endif
+           "*job_option version:2018"
+           "*job_option version:2017.1"
+           "*job_option version:2017"
            "*job_option version:2016"
            "*job_option version:2015"
            "*job_option version:2014.2"
@@ -806,8 +813,11 @@ popmenu job_submit_adv_pm {
            "*job_option version:k4"
   visibles "job_allows_input_version_default"
 #if 0
-          "job_allows_input_version_2017"
+          "job_allows_input_version_2018.1"
 #endif
+          "job_allows_input_version_2018"
+          "job_allows_input_version_2017.1"
+          "job_allows_input_version_2017"
           "job_allows_input_version_2016"
           "job_allows_input_version_2015"
           "job_allows_input_version_2014.2"
@@ -1147,8 +1157,6 @@ popmenu damask {
   }
 }
 
-
-
  window {
   parent mentat
   origin 38 8
@@ -1329,7 +1337,8 @@ group job_ddm_gr {
   help job_run_ddm_use
   true_command "*job_option parallel:on"
   false_command "*job_option parallel:off"
-  active "not(job_solver_it_ext)"
+  active "and(not(job_solver_it_ext),\
+              not(job_solver_mixed_direct_iterative))"
  }
 
  frame {
@@ -1351,6 +1360,7 @@ group job_ddm_use_gr {
     position 0 0
     size 12 4 
     text "DECOMPOSITION IN"
+    help job_run_ddm_generator
    }
    oneonly{
     position +12 =
@@ -1358,6 +1368,7 @@ group job_ddm_use_gr {
     text "MARC"
     oneonly "*job_option ddm_generator:fea_solver"
     command "*job_option ddm_generator:fea_solver"
+    help job_run_ddm_generator
    }
    oneonly{
     position +12 =
@@ -1365,6 +1376,7 @@ group job_ddm_use_gr {
     text "MENTAT"
     oneonly "*job_option ddm_generator:preprocessor"
     command "*job_option ddm_generator:preprocessor"
+    help job_run_ddm_generator
    }
   }
  }

installation/mods_MarcMentat/2018.1/Mentat_menus/job_run.ms.original

@@ -2,11 +2,9 @@
 popmenu job_title_pm                file jobs.ms
 popdown job_title_ok                file jobs.ms
 
-group job_solver_gr                 file job_common.ms
 group user_domains_gr               file domain_decomposition.ms
 group user_domains_generate_gr      file domain_decomposition.ms
 group user_domains_tail_gr          file domain_decomposition.ms
-group job_solver_opts_gr            file job_common.ms
 group matrix_solver_gr              file job_common.ms
 popmenu ddm_options                 file job_common.ms
 
@@ -377,7 +375,7 @@ popmenu job_run_popmenu {
    border_color black
   }
 
-  float {
+  display {
    position +32 =
    size 18 4
    display "job_time"
@@ -707,12 +705,15 @@ popmenu job_submit_adv_pm {
     roller {
      position +9 =
      size 14 4
-     nvalues 23
+     nvalues 26
-     nvisible 23
+     nvisible 26
      texts "DEFAULT"
 #if 0
-           "2017"
+           "2018.1"
 #endif
+           "2018"
+           "2017.1"
+           "2017"
            "2016"
            "2015"
            "2014.2"
@@ -741,8 +742,11 @@ popmenu job_submit_adv_pm {
      help job_param_version
      rollers "job_input_version_default"
 #if 0
-             "job_input_version_2017"
+             "job_input_version_2018.1"
 #endif
+             "job_input_version_2018"
+             "job_input_version_2017.1"
+             "job_input_version_2017"
              "job_input_version_2016"
              "job_input_version_2015"
              "job_input_version_2014.2"
@@ -770,8 +774,11 @@ popmenu job_submit_adv_pm {
              "job_input_version_k4"
   commands "*job_option version:default"
 #if 0
-           "*job_option version:2017"
+           "*job_option version:2018.1"
 #endif
+           "*job_option version:2018"
+           "*job_option version:2017.1"
+           "*job_option version:2017"
            "*job_option version:2016"
            "*job_option version:2015"
            "*job_option version:2014.2"
@@ -799,8 +806,11 @@ popmenu job_submit_adv_pm {
            "*job_option version:k4"
   visibles "job_allows_input_version_default"
 #if 0
-          "job_allows_input_version_2017"
+          "job_allows_input_version_2018.1"
 #endif
+          "job_allows_input_version_2018"
+          "job_allows_input_version_2017.1"
+          "job_allows_input_version_2017"
           "job_allows_input_version_2016"
           "job_allows_input_version_2015"
           "job_allows_input_version_2014.2"
@@ -1192,7 +1202,8 @@ group job_ddm_gr {
   help job_run_ddm_use
   true_command "*job_option parallel:on"
   false_command "*job_option parallel:off"
-  active "not(job_solver_it_ext)"
+  active "and(not(job_solver_it_ext),\
+              not(job_solver_mixed_direct_iterative))"
  }
 
  frame {
@@ -1214,6 +1225,7 @@ group job_ddm_use_gr {
     position 0 0
     size 12 4 
     text "DECOMPOSITION IN"
+    help job_run_ddm_generator
    }
    oneonly{
     position +12 =
@@ -1221,6 +1233,7 @@ group job_ddm_use_gr {
     text "MARC"
     oneonly "*job_option ddm_generator:fea_solver"
     command "*job_option ddm_generator:fea_solver"
+    help job_run_ddm_generator
    }
    oneonly{
     position +12 =
@@ -1228,6 +1241,7 @@ group job_ddm_use_gr {
     text "MENTAT"
     oneonly "*job_option ddm_generator:preprocessor"
     command "*job_option ddm_generator:preprocessor"
+    help job_run_ddm_generator
    }
   }
  }

installation/patch/python2to3.sh

@@ -1,8 +1,8 @@
 #! /usr/bin/env bash
 if [ $1x != 3to2x ]; then
-  echo 'python2.7 to python'
+  echo 'python2.7 to python3'
-  find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python/g'
+  find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python3/g'
 else
-  echo 'python to python2.7'
+  echo 'python3 to python2.7'
-  find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python/usr\/bin\/env python2.7/g'
+  find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python3/usr\/bin\/env python2.7/g'
 fi

installation/symlink_Processing.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 # Makes postprocessing routines acessible from everywhere.

lib/damask/solver/marc.py

@@ -8,55 +8,37 @@ class Marc(Solver):
 
   def __init__(self):
     self.solver = 'Marc'
-    self.releases = { \
-              '2017':  ['linux64',''],
-              '2016':  ['linux64',''],
-             }
 
 
 #--------------------------
   def version(self):
-    import os,damask.environment
+    import damask.environment
 
-    MSCpath = damask.environment.Environment().options['MSC_ROOT']
+    return damask.environment.Environment().options['MARC_VERSION']
-    
-    for release,subdirs in sorted(list(self.releases.items()),reverse=True):
-      for subdir in subdirs:
-        path = '%s/mentat%s/shlib/%s'%(MSCpath,release,subdir)
-        if os.path.exists(path): return release
-        else: continue
-    
-    return ''
       
     
 #--------------------------
-  def libraryPath(self,releases = []):
+  def libraryPath(self,release = ''):
     import os,damask.environment
 
-    MSCpath = damask.environment.Environment().options['MSC_ROOT']
+    MSCpath     = damask.environment.Environment().options['MSC_ROOT']
+    if len(release) == 0: release = self.version()
     
-    if len(releases) == 0: releases = list(self.releases.keys())
+    path = '{}/mentat{}/shlib/linux64'.format(MSCpath,release)
-    if type(releases) is not list: releases = [releases]
+
-    for release in sorted(releases,reverse=True):
+    return path if os.path.exists(path) else ''
-      if release not in self.releases: continue
+
-      for subdir in self.releases[release]:
-        libPath = '%s/mentat%s/shlib/%s'%(MSCpath,release,subdir)
-        if os.path.exists(libPath): return libPath
-        else: continue
-    
-    return ''
-  
 
 #--------------------------
   def toolsPath(self,release = ''):
     import os,damask.environment
 
     MSCpath = damask.environment.Environment().options['MSC_ROOT']
-    
     if len(release) == 0: release = self.version()
+
     path = '%s/marc%s/tools'%(MSCpath,release)
-    if os.path.exists(path): return path
+
-    else: return ''
+    return path if os.path.exists(path) else ''
   
 
 #--------------------------
@@ -67,31 +49,25 @@ class Marc(Solver):
                  logfile      = None,
                  compile      = False,
                  optimization ='',
-                 openMP       = False
                 ):
 
     import os,damask.environment
     import subprocess,shlex
     
     if len(release) == 0: release = self.version()
-
-    if release not in self.releases:
-      raise Exception("Unknown MSC.Marc Version %s"%release)
-      
-
     damaskEnv = damask.environment.Environment()
     
-    user = os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc')                                   # might be updated if special version (symlink) is found
+    user = 'not found'
+
     if compile:
-      if os.path.isfile(os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc%s.f90'%release)):
+      if os.path.isfile(os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc{}.f90'.format(release))):
-        user = os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc%s'%release)
+        user = os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc{}'.format(release))
     else:
-      if os.path.isfile(os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc%s.marc'%release)):
+      if os.path.isfile(os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc{}.marc'.format(release))):
-        user = os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc%s'%release)
+        user = os.path.join(damaskEnv.relPath('src/'),'DAMASK_marc{}'.format(release))
 
     # Define options [see Marc Installation and Operation Guide, pp 23]
-    script = 'run_damask%s'%({False:'',True:'_'}[optimization!='' or openMP])
+    script = 'run_damask_{}mp'.format(optimization)
-    script =  script+'%s%s'%({False:'',True:optimization}[optimization!=''],{False:'',True:'mp'}[openMP])
     
     cmd = os.path.join(self.toolsPath(release),script) + \
           ' -jid ' + model + '_' + job + \
@@ -100,24 +76,24 @@ class Marc(Solver):
     if compile: cmd += ' -u ' + user+'.f90' + ' -save y'
     else:       cmd += ' -prog ' + user
 
-    print('job submission with%s compilation: %s'%({False:'out',True:''}[compile],user))
+    print('job submission with{} compilation: {}'.format({False:'out',True:''}[compile],user))
     if logfile:
       log = open(logfile, 'w')
     print(cmd)
-    self.p = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
+    process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
     log.close()
-    self.p.wait()
+    process.wait()
       
 #--------------------------
   def exit_number_from_outFile(self,outFile=None):
     import string
     exitnumber = -1
     fid_out = open(outFile,'r')
-    for ln in fid_out:
+    for line in fid_out:
-      if (string.find(ln,'tress iteration') is not -1):
+      if (string.find(line,'tress iteration') is not -1):
-        print(ln)
+        print(line)
-      elif (string.find(ln,'Exit number') is not -1):
+      elif (string.find(line,'Exit number') is not -1):
-        substr = ln[string.find(ln,'Exit number'):len(ln)]
+        substr = line[string.find(line,'Exit number'):len(line)]
         exitnumber = int(substr[12:16])
 
     fid_out.close()

lib/damask/test/test.py

@@ -384,10 +384,10 @@ class Test():
     while table0.data_read():                                                  # read next data line of ASCII table
       if line0 not in skipLines:
         for i in range(dataLength):
-          myData = np.array(map(float,table0.data[column[0][i]:\
+          myData = np.array(list(map(float,table0.data[column[0][i]:\
-                                                  column[0][i]+length[i]]),'d')
+                                                       column[0][i]+length[i]])),'d')
-          normData = np.array(map(float,table0.data[normColumn[i]:\
+          normData = np.array(list(map(float,table0.data[normColumn[i]:\
-                                                    normColumn[i]+normLength[i]]),'d')
+                                                         normColumn[i]+normLength[i]])),'d')
           data[i] = np.append(data[i],np.reshape(myData,shape[i]))
           if normType == 'pInf':
             norm[i] = np.append(norm[i],np.max(np.abs(normData)))
@@ -410,8 +410,8 @@ class Test():
     while table1.data_read():                                                  # read next data line of ASCII table
       if line1 not in skipLines:
         for i in range(dataLength):
-          myData = np.array(map(float,table1.data[column[1][i]:\
+          myData = np.array(list(map(float,table1.data[column[1][i]:\
-                                                  column[1][i]+length[i]]),'d')
+                                                       column[1][i]+length[i]])),'d')
           maxError[i] = max(maxError[i],np.linalg.norm(np.reshape(myData-data[i][line1-len(skipLines),:],shape[i]))/
                                                                                    norm[i][line1-len(skipLines)])
       line1 +=1

processing/post/addCalculation.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,re,sys,collections

processing/post/addCauchy.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addCompatibilityMismatch.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os

processing/post/addCurl.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -49,7 +49,7 @@ def curlFFT(geomdim,field):
 
   curl_fourier = np.einsum(einsums[n],e,k_s,field_fourier)*TWOPIIMG
 
-  return np.fft.irfftn(curl_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,n])
+  return np.fft.irfftn(curl_fourier,s=shapeFFT,axes=(0,1,2)).reshape([N,n])
 
 
 # --------------------------------------------------------------------

processing/post/addDeterminant.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addDeviator.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addDisplacement.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addDivergence.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -45,7 +45,7 @@ def divFFT(geomdim,field):
 
   div_fourier = np.einsum(einsums[n],k_s,field_fourier)*TWOPIIMG
 
-  return np.fft.irfftn(div_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,n/3])
+  return np.fft.irfftn(div_fourier,s=shapeFFT,axes=(0,1,2)).reshape([N,n//3])
 
 
 # --------------------------------------------------------------------

processing/post/addEhkl.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addEuclideanDistance.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,itertools

processing/post/addGaussian.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addGradient.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -45,7 +45,7 @@ def gradFFT(geomdim,field):
   k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3).astype('c16')                           
   grad_fourier = np.einsum(einsums[n],field_fourier,k_s)*TWOPIIMG
 
-  return np.fft.irfftn(grad_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,3*n])
+  return np.fft.irfftn(grad_fourier,s=shapeFFT,axes=(0,1,2)).reshape([N,3*n])
 
 
 # --------------------------------------------------------------------

processing/post/addIPFcolor.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addIndexed.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addMises.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addNorm.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addOrientations.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addPK2.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addSchmidfactors.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/addSpectralDecomposition.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addStrainTensors.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/averageDown.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys
@@ -94,11 +94,9 @@ for name in filenames:
 
   if (any(options.grid) == 0 or any(options.size) == 0.0):
     grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
-
   else:
     grid   = np.array(options.grid,'i')
     size   = np.array(options.size,'d')
-    origin = np.zeros(3,'d')
 
   packing = np.where(grid == 1,1,packing)                                                           # reset packing to 1 where grid==1
   shift   = np.where(grid == 1,0,shift)                                                             # reset   shift to 0 where grid==1
@@ -113,7 +111,7 @@ for name in filenames:
                           -shift[2],axis = 2),
                   size = list(packing) + [1],
                   mode = 'wrap',
-                  origin = list(-(packing/2)) + [0])\
+                  origin = list(-(packing//2)) + [0])\
                   [::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),table.data.shape[1]),order = 'F')
 
   
@@ -121,15 +119,15 @@ for name in filenames:
 
 #--- generate grid --------------------------------------------------------------------------------
 
-  x = (0.5 + shift[0] + np.arange(packedGrid[0],dtype=float))/packedGrid[0]*size[0] + origin[0]
+  x = (0.5 + shift[0] + np.arange(packedGrid[0],dtype=float))/packedGrid[0]*size[0]
-  y = (0.5 + shift[1] + np.arange(packedGrid[1],dtype=float))/packedGrid[1]*size[1] + origin[1]
+  y = (0.5 + shift[1] + np.arange(packedGrid[1],dtype=float))/packedGrid[1]*size[1]
-  z = (0.5 + shift[2] + np.arange(packedGrid[2],dtype=float))/packedGrid[2]*size[2] + origin[2]
+  z = (0.5 + shift[2] + np.arange(packedGrid[2],dtype=float))/packedGrid[2]*size[2]
 
   xx = np.tile(          x,                packedGrid[1]* packedGrid[2])
   yy = np.tile(np.repeat(y,packedGrid[0]                ),packedGrid[2])
   zz =         np.repeat(z,packedGrid[0]*packedGrid[1])
 
-  table.data[:,table.label_indexragen(options.pos)] = np.squeeze(np.dstack((xx,yy,zz)))
+  table.data[:,table.label_indexrange(options.pos)] = np.squeeze(np.dstack((xx,yy,zz)))
 
 # ------------------------------------------ output result -----------------------------------------  
 

processing/post/filterTable.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,re,sys,fnmatch
@@ -139,6 +139,7 @@ for name in filenames:
       table.data_readArray(positions+1)                                                               # read desired columns (indexed 1,...)
       table.data_writeArray()                                                                         # directly write out
     except:
+      table.data_rewind()
       atOnce = False                                                                                  # data contains items that prevent array chunking
 
   if not atOnce:                                                                                      # read data line by line

processing/post/perceptualUniformColorMap.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import sys,os

processing/post/permuteData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/postResults.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math,re,time,struct
@@ -79,7 +79,7 @@ class MPIEspectral_result:    # mimic py_post result object
     self.dataOffset = 0
     while self.dataOffset < self.filesize:
       self.file.seek(self.dataOffset)
-      if self.file.read(3) == 'eoh': break
+      if self.file.read(3) == b'eoh': break
       self.dataOffset += 1
     self.dataOffset   += 7
 #search first for the new keywords with ':', if not found try to find the old ones
@@ -135,7 +135,7 @@ class MPIEspectral_result:    # mimic py_post result object
     if self.N_element_scalars is None:
       self.N_element_scalars = self._keyedPackedArray('materialpoint_sizeResults',count=1,type='i')[0]
 
-    self.N_positions  = (self.filesize-self.dataOffset)/(self.N_elements*self.N_element_scalars*8)
+    self.N_positions  = (self.filesize-self.dataOffset)//(self.N_elements*self.N_element_scalars*8)
     self.N_increments = 1                                                    # add zero'th entry
     for i in range(self.N_loadcases):
       self.N_increments += self._increments[i]//self._frequencies[i]
@@ -179,7 +179,7 @@ class MPIEspectral_result:    # mimic py_post result object
       self.file.seek(filepos)
 # read the starting tag in front of the keyword (Fortran indicates start and end of writing by a 4 byte tag indicating the length of the following data)
       dataLen=struct.unpack('i',self.file.read(4))[0]
-      name = self.file.read(len(identifier))                                                        # anticipate identifier
+      name = self.file.read(len(identifier)).decode(errors="ignore")                                # anticipate identifier
       start=filepos+(4+len(identifier))                                                             # position of the values for the found key
       filepos=filepos+(4+dataLen+4)                                                                 # forward to next keyword
 
@@ -202,7 +202,7 @@ class MPIEspectral_result:    # mimic py_post result object
   def _keyedString(self,identifier,default=None):
     value = default
     self.file.seek(0)
-    m = re.search(r'(.{4})%s(.*?)\1'%identifier,self.file.read(self.dataOffset),re.DOTALL)
+    m = re.search(r'(.{4})%s(.*?)\1'%identifier,self.file.read(self.dataOffset).decode(errors="ignore"),re.DOTALL)
     if m:
       value = m.group(2)
     return value
@@ -244,9 +244,9 @@ class MPIEspectral_result:    # mimic py_post result object
     a = self.grid[0]+1
     b = self.grid[1]+1
     c = self.grid[2]+1
-    return vector([self.size[0] *       (n%a) / self.grid[0],
+    return vector([self.size[0] *         (n%a) / self.grid[0],
-                   self.size[1] *   ((n/a)%b) / self.grid[1],
+                   self.size[1] *    ((n//a)%b) / self.grid[1],
-                   self.size[2] * ((n/a/b)%c) / self.grid[2],
+                   self.size[2] * ((n//a//b)%c) / self.grid[2],
             ])
 
   def element_sequence(self,e):
@@ -258,7 +258,7 @@ class MPIEspectral_result:    # mimic py_post result object
   def element(self,e):
     a = self.grid[0]+1
     b = self.grid[1]+1
-    basenode = 1 + e+e/self.grid[0] + e/self.grid[0]/self.grid[1]*a
+    basenode = 1 + e+e//self.grid[0] + e//self.grid[0]//self.grid[1]*a
     basenode2 = basenode+a*b
     return (element([basenode ,basenode +1,basenode +a+1,basenode +a,
                     basenode2 ,basenode2+1,basenode2+a+1,basenode2+a,
@@ -434,17 +434,17 @@ def mapIncremental(label, mapping, N, base, new):
               'unique': lambda n,b,a: a if n==0 or b==a else 'nan'
             }
   if mapping in theMap:
-    mapped = map(theMap[mapping],[N]*len(base),base,new)                        # map one of the standard functions to data
+    mapped = list(map(theMap[mapping],[N for i in range(len(base))],base,new))                        # map one of the standard functions to data
     if label.lower() == 'orientation':                                          # orientation is special case:...
       orientationNorm = math.sqrt(sum([q*q for q in mapped]))                   # ...calc norm of average quaternion
-      mapped = map(lambda x: x/orientationNorm, mapped)                         # ...renormalize quaternion
+      mapped = list(map(lambda x: x/orientationNorm, mapped))                         # ...renormalize quaternion
   else:
     try:
-      mapped = eval('map(%s,[N]*len(base),base,new)'%mapping)                   # map user defined function to colums in chunks
+      mapped = list(eval('map(%s,[N for i in range(len(base))],base,new)'%mapping))                   # map user defined function to colums in chunks
     except:
-      mapped = ['nan']*len(base)
+      mapped = ['nan' for i in range(len(base))]
 
-  return mapped
+  return list(mapped)
 
 
 
@@ -466,7 +466,7 @@ def ParseOutputFormat(filename,what,me):
   """Parse .output* files in order to get a list of outputs"""
   content = []
   format = {'outputs':{},'specials':{'brothers':[]}}
-  for prefix in ['']+map(str,range(1,17)):
+  for prefix in ['']+list(map(str,range(1,17))):
     if os.path.exists(prefix+filename+'.output'+what):
       try:
         file = open(prefix+filename+'.output'+what)
@@ -674,6 +674,9 @@ parser.add_option('-p','--type', dest='filetype',
 parser.add_option('-q','--quiet', dest='verbose',
                   action = 'store_false',
                   help = 'suppress verbose output')
+parser.add_option('--verbose', dest='verbose',
+                  action = 'store_true',
+                  help = 'enable verbose output')
 
 group_material = OptionGroup(parser,'Material identifier')
 
@@ -715,7 +718,7 @@ parser.add_option_group(group_general)
 parser.add_option_group(group_special)
 
 parser.set_defaults(info = False,
-                    verbose = True,
+                    verbose = False,
                     legacy = False,
                     nodal = False,
                     prefix = '',
@@ -850,7 +853,7 @@ for opt in ['nodalScalar','elemScalar','elemTensor','homogenizationResult','crys
       if (opt in ['nodalScalar','elemScalar','elemTensor'] and label not in stat['IndexOfLabel'] and label not in ['elements',]) \
            or (opt in ['homogenizationResult','crystalliteResult','constitutiveResult'] \
                and (not outputFormat[opt[:-6].capitalize()]['outputs'] \
-                  or label not in zip(*outputFormat[opt[:-6].capitalize()]['outputs'])[0])):
+                  or label not in list(zip(*outputFormat[opt[:-6].capitalize()]['outputs']))[0])):
         parser.error('%s "%s" unknown...'%(opt,label))
 
 
@@ -935,8 +938,8 @@ else:
   for e in range(stat['NumberOfElements']):
     if options.verbose and e%1000 == 0: bg.set_message('scan elem %i...'%e)
     myElemID = p.element_id(e)
-    myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z],
+    myIpCoordinates = ipCoords(p.element(e).type, list(map(lambda node: [node.x, node.y, node.z],
-                                                         map(p.node, map(p.node_sequence, p.element(e).items))))
+                                                         list(map(p.node, map(p.node_sequence, p.element(e).items))))))
     myIpIDs = ipIDs(p.element(e).type)
     Nips = len(myIpIDs)
     myNodeIDs = p.element(e).items[:Nips]
@@ -1023,7 +1026,7 @@ if options.verbose: bg.set_message('getting map between positions and increments
 incAtPosition = {}
 positionOfInc = {}
 
-for position in range(stat['NumberOfIncrements']):
+for position in range(int(stat['NumberOfIncrements'])):
   p.moveto(position+offset_pos)
   incAtPosition[position] = p.increment            # remember "real" increment at this position
   positionOfInc[p.increment] = position            # remember position of "real" increment
@@ -1130,7 +1133,7 @@ for incCount,position in enumerate(locations):     # walk through locations
                                       ['Crystallite']*len(options.crystalliteResult) +
                                       ['Constitutive']*len(options.constitutiveResult)
                                       ):
-          outputIndex = list(zip(*outputFormat[resultType]['outputs'])[0]).index(label)             # find the position of this output in the outputFormat
+          outputIndex = (list(zip(*outputFormat[resultType]['outputs']))[0]).index(label)             # find the position of this output in the outputFormat
           length = int(outputFormat[resultType]['outputs'][outputIndex][1])
           thisHead = heading('_',[[component,''.join( label.split() )] for component in range(int(length>1),length+int(length>1))])
           if assembleHeader: header += thisHead
@@ -1164,14 +1167,12 @@ for incCount,position in enumerate(locations):     # walk through locations
       file.write('\t'.join(standard + header) + '\n')
       headerWritten = True
 
-    file.write('\t'.join(map(str,[p.increment] + \
+    file.write('\t'.join(list(map(str,[p.increment] + \
                                  {True:[p.time],False:[]}[options.time] + \
                                  group[0] + \
                                  mappedResult)
-                        ) + '\n')
+                        )) + '\n')
 
 if fileOpen:
   file.close()
 
-
-# ---------------------------       DONE     --------------------------------

processing/post/reLabel.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,re
@@ -66,7 +66,7 @@ for name in filenames:
     for i,index in enumerate(indices):
       if index == -1: remarks.append('label "{}" not present...'.format(options.label[i]))
       else:
-        m = pattern[dimensions[i]>1].match(table.tags[index])                                       # isolate label name
+        m = pattern[int(dimensions[i]>1)].match(table.tags[index])                                  # isolate label name
         for j in range(dimensions[i]):
           table.tags[index+j] = table.tags[index+j].replace(m.group(2),options.substitute[i])       # replace name with substitute
 

processing/post/rotateData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/post/scaleData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/shiftData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/showTable.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os

processing/pre/geom_addPrimitive.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -63,7 +63,7 @@ parser.set_defaults(center = (.0,.0,.0),
 if options.dimension is None:
   parser.error('no dimension specified.')   
 if options.angleaxis is not None:
-  options.angleaxis = map(float,options.angleaxis)
+  options.angleaxis = list(map(float,options.angleaxis))
   rotation = damask.Quaternion().fromAngleAxis(np.radians(options.angleaxis[0]) if options.degrees else options.angleaxis[0],
                                                options.angleaxis[1:4])
 elif options.quaternion is not None:
@@ -137,17 +137,17 @@ for name in filenames:
                             indexing='ij')
     # Padding handling
     X = np.roll(np.roll(np.roll(X,
-            -grid[0]/2, axis=0), 
+            -grid[0]//2, axis=0), 
-            -grid[1]/2, axis=1), 
+            -grid[1]//2, axis=1), 
-            -grid[2]/2, axis=2)
+            -grid[2]//2, axis=2)
     Y = np.roll(np.roll(np.roll(Y,
-            -grid[0]/2, axis=0), 
+            -grid[0]//2, axis=0), 
-            -grid[1]/2, axis=1), 
+            -grid[1]//2, axis=1), 
-            -grid[2]/2, axis=2)
+            -grid[2]//2, axis=2)
     Z = np.roll(np.roll(np.roll(Z,
-            -grid[0]/2, axis=0), 
+            -grid[0]//2, axis=0), 
-            -grid[1]/2, axis=1), 
+            -grid[1]//2, axis=1), 
-            -grid[2]/2, axis=2)
+            -grid[2]//2, axis=2)
   else: # nonperiodic, much lighter on resources
     # change to coordinate space where the primitive is the unit sphere/cube/etc
     (X, Y, Z) = np.meshgrid(np.arange(0, grid[0], dtype=np.float32), 

processing/pre/geom_canvas.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_clean.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_fromMinimalSurface.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_fromOsteonGeometry.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_fromTable.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math,time

processing/pre/geom_fromVoronoiTessellation.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -245,9 +245,9 @@ for name in filenames:
   hasEulers  = table.label_dimension(options.eulers) == 3
   hasWeights = table.label_dimension(options.weight) == 1 and options.laguerre
 
-  if     np.any(info['grid'] < 1):   errors.append('invalid grid a b c.')
+  if     np.any(np.array(info['grid']) < 1):   errors.append('invalid grid a b c.')
-  if     np.any(info['size'] <= 0.0) \
+  if     np.any(np.array(info['size']) <= 0.0) \
-     and np.all(info['grid'] < 1):   errors.append('invalid size x y z.')
+     and np.all(np.array(info['grid']) < 1):   errors.append('invalid size x y z.')
   else:
     for i in range(3):
       if info['size'][i] <= 0.0:                                                                      # any invalid size?

processing/pre/geom_mirror.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_pack.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/pre/geom_renumber.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_rescale.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -82,11 +82,11 @@ for name in filenames:
              'microstructures': 0,
             }
 
-  newInfo['grid'] = np.array([{True:round(o*float(n.translate(None,'xX'))), 
+  newInfo['grid'] = np.array([{True: round(o*float(n.lower().replace('x',''))),
-                               False: round(float(n.translate(None,'xX')))}[n[-1].lower() == 'x']
+                               False:  round(float(n.lower().replace('x','')))}[n[-1].lower() == 'x']
                                                   for o,n in zip(info['grid'],options.grid)],'i')
-  newInfo['size'] = np.array([{True:      o*float(n.translate(None,'xX')) ,
+  newInfo['size'] = np.array([{True:       o*float(n.lower().replace('x','')),
-                               False:       float(n.translate(None,'xX')) }[n[-1].lower() == 'x']
+                               False:        float(n.lower().replace('x',''))}[n[-1].lower() == 'x']
                                                   for o,n in zip(info['size'],options.size)],'d')
   newInfo['grid'] = np.where(newInfo['grid'] <= 0  , info['grid'],newInfo['grid'])
   newInfo['size'] = np.where(newInfo['size'] <= 0.0, info['size'],newInfo['size'])

processing/pre/geom_rotate.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_translate.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -46,7 +46,7 @@ parser.set_defaults(origin = (0.0,0.0,0.0),
 datatype = 'f' if options.real else 'i'
 
 sub = {}
-for i in range(len(options.substitute)/2):                                                          # split substitution list into "from" -> "to"
+for i in range(len(options.substitute)//2):                                                         # split substitution list into "from" -> "to"
   sub[int(options.substitute[i*2])] = int(options.substitute[i*2+1])
 
 # --- loop over input files ----------------------------------------------------------------------

processing/pre/geom_unpack.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/geom_vicinityOffset.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math

processing/pre/hybridIA_linODFsampling.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 from optparse import OptionParser