Merge branch 'spring-cleaning' into 'development'

spring cleaning

See merge request damask/DAMASK!360

.gitlab-ci.yml

@@ -1,18 +1,15 @@
 ---
 stages:
-  - prepareAll
+  - prepare
   - python
-  - deprecated
   - compile
-  - grid
-  - marc
+  - fortran
   - performance
-  - createPackage
-  - createDocumentation
-  - saveDocumentation
-  - updateMaster
+  - deploy
+  - backup
+  - update_master
+  - distclean
   - clean
-  - releaseLock
 
 ###################################################################################################
 before_script:
@@ -74,7 +71,7 @@ variables:
 
 ###################################################################################################
 checkout:
-  stage: prepareAll
+  stage: prepare
   before_script:
     - echo $CI_PIPELINE_ID >> $LOCAL_HOME/GitLabCI.queue
     - while [ $(awk "/$CI_PIPELINE_ID/{print NR}" $LOCAL_HOME/GitLabCI.queue) != 1 ];
@@ -89,100 +86,37 @@ checkout:
     - git checkout $CI_COMMIT_SHA
     - git submodule update --init
     - source env/DAMASK.sh
-    - make processing
+    - ./installation/symlink_Processing.py
   except:
     - master
     - release
 
 ###################################################################################################
-pytest_python:
+processing:
   stage: python
   script:
     - cd $DAMASKROOT/python
-    - pytest --basetemp=${TESTROOT}/python -v
+    - COLUMNS=256 pytest --basetemp=${TESTROOT}/python -v --cov --cov-report=term
+    - coverage report --fail-under=90
   except:
     - master
     - release
 
 ###################################################################################################
-Pre_SeedGeneration:
-  stage: deprecated
-  script: PreProcessing_SeedGeneration/test.py
-  except:
-    - master
-    - release
-
-Pre_GeomGeneration:
-  stage: deprecated
-  script: PreProcessing_GeomGeneration/test.py
-  except:
-    - master
-    - release
-
-Pre_GeomModification:
-  stage: deprecated
-  script: PreProcessing_GeomModification/test.py
-  except:
-    - master
-    - release
-
-Pre_General:
-  stage: deprecated
+preprocessing_deprecated:
+  stage: python
   script: PreProcessing/test.py
   except:
     - master
     - release
 
-Post_General:
-  stage: deprecated
-  script: PostProcessing/test.py
-  except:
-    - master
-    - release
-
-Post_GeometryReconstruction:
-  stage: deprecated
-  script: spectral_geometryReconstruction/test.py
-  except:
-    - master
-    - release
-
-Post_addCurl:
-  stage: deprecated
-  script: addCurl/test.py
-  except:
-    - master
-    - release
-
-Post_addDivergence:
-  stage: deprecated
-  script: addDivergence/test.py
-  except:
-    - master
-    - release
-
-Post_addGradient:
-  stage: deprecated
-  script: addGradient/test.py
-  except:
-    - master
-    - release
-
-Post_OrientationAverageMisorientation:
-  stage: deprecated
-  script:
-    - OrientationAverageMisorientation/test.py
-  except:
-    - master
-    - release
-
 ###################################################################################################
 compile_grid_Intel:
   stage: compile
   script:
     - module load $IntelCompiler $MPI_Intel $PETSc_Intel
     - cd pytest
-    - pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_Intel
+    - COLUMNS=256 pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_Intel
   except:
     - master
     - release
@@ -192,7 +126,7 @@ compile_mesh_Intel:
   script:
     - module load $IntelCompiler $MPI_Intel $PETSc_Intel
     - cd pytest
-    - pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_Intel
+    - COLUMNS=256 pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_Intel
   except:
     - master
     - release
@@ -202,7 +136,7 @@ compile_grid_GNU:
   script:
     - module load $GNUCompiler $MPI_GNU $PETSc_GNU
     - cd pytest
-    - pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_GNU
+    - COLUMNS=256 pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_GNU
   except:
     - master
     - release
@@ -212,17 +146,17 @@ compile_mesh_GNU:
   script:
     - module load $GNUCompiler $MPI_GNU $PETSc_GNU
     - cd pytest
-    - pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_GNU
+    - COLUMNS=256 pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_GNU
   except:
     - master
     - release
 
-compile_MARC:
+compile_Marc:
   stage: compile
   script:
     - module load $IntelMarc $HDF5Marc $MSC
     - cd pytest
-    - pytest -k 'compile and Marc' --basetemp=${TESTROOT}/compile_Marc
+    - COLUMNS=256 pytest -k 'compile and Marc' --basetemp=${TESTROOT}/compile_Marc
   except:
     - master
     - release
@@ -252,34 +186,25 @@ setup_mesh:
     - release
 
 ###################################################################################################
-pytest_fortran:
-  stage: grid
+core:
+  stage: fortran
   script:
     - module load $IntelCompiler $MPI_Intel $PETSc_Intel
     - cd pytest
-    - pytest -k 'not compile' --basetemp=${TESTROOT}/fortran -v
-  except:
-    - master
-    - release
-
-Plasticity_DetectChanges:
-  stage: grid
-  script: Plasticity_DetectChanges/test.py
+    - COLUMNS=256 pytest -k 'not compile' --basetemp=${TESTROOT}/fortran -v
   except:
     - master
     - release
 
 Phenopowerlaw_singleSlip:
-  stage: grid
+  stage: fortran
   script: Phenopowerlaw_singleSlip/test.py
   except:
     - master
     - release
 
-
-###################################################################################################
 J2_plasticBehavior:
-  stage: marc
+  stage: fortran
   script:
     - module load $IntelMarc $HDF5Marc $MSC
     - J2_plasticBehavior/test.py
@@ -294,7 +219,7 @@ SpectralRuntime:
   script:
     - module load $IntelCompiler $MPI_Intel $PETSc_Intel
     - cd $DAMASKROOT
-    - make clean grid processing OPTIMIZATION=AGGRESSIVE
+    - make clean grid OPTIMIZATION=AGGRESSIVE
     - cd $LOCAL_HOME/performance                                                                    # location of old results
     - git checkout .                                                                                # undo any changes (i.e. run time data from non-development branch)
     - cd $DAMASKROOT/PRIVATE/testing
@@ -304,8 +229,8 @@ SpectralRuntime:
     - release
 
 ###################################################################################################
-createTar:
-  stage: createPackage
+source_distribution:
+  stage: deploy
   script:
     - cd $(mktemp -d)
     - $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA
@@ -313,18 +238,18 @@ createTar:
     - master
     - release
 
-###################################################################################################
-Python:
-  stage: createDocumentation
+library_documentation:
+  stage: deploy
   script:
-    - echo 'tbd one matesting1'
+    - cd $DAMASKROOT/PRIVATE/documenting/sphinx
+    - make html
   except:
     - master
     - release
 
 ##################################################################################################
-backupData:
-  stage: saveDocumentation
+backup_runtime_measurement:
+  stage: backup
   script:
     - cd $LOCAL_HOME/performance                                                                    # location of new runtime results
     - git commit -am"${CI_PIPELINE_ID}_${CI_COMMIT_SHA}"
@@ -335,8 +260,8 @@ backupData:
     - development
 
 ##################################################################################################
-mergeIntoMaster:
-  stage: updateMaster
+merge_into_master:
+  stage: update_master
   script:
     - cd $DAMASKROOT
     - export TESTEDREV=$(git describe)                                                              # might be detached from development branch
@@ -354,8 +279,8 @@ mergeIntoMaster:
     - development
 
 ###################################################################################################
-removeData:
-  stage: clean
+remove_data:
+  stage: distclean
   before_script:
     - echo "Removing data and lock of pipeline $CI_PIPELINE_ID"
   script:
@@ -366,8 +291,8 @@ removeData:
     - release
 
 ###################################################################################################
-removeLock:
-  stage: releaseLock
+remove_lock:
+  stage: clean
   before_script:
     - echo "Removing lock of pipeline $CI_PIPELINE_ID"
   when: always

LICENSE

@@ -1,4 +1,4 @@
-Copyright 2011-21 Max-Planck-Institut für Eisenforschung GmbH
+Copyright 2011-2021 Max-Planck-Institut für Eisenforschung GmbH
 
 DAMASK is free software: you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by

Makefile

@@ -1,26 +1,24 @@
 SHELL = /bin/sh
-########################################################################################
-# Makefile for the installation of DAMASK
-########################################################################################
+
+###################################################################################################
+# One-command-build invoking CMake (meant for developers, should not be part of the distribution)
+###################################################################################################
+
 .PHONY: all
-all: grid mesh processing
+all: grid mesh
 
 .PHONY: grid
 grid:
 	@cmake -B build/grid -DDAMASK_SOLVER=GRID -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
-	@cmake --build build/grid --parallel ${DAMASK_NUM_THRADS}
+	@cmake --build build/grid --parallel
 	@cmake --install build/grid
 
 .PHONY: mesh
 mesh:
 	@cmake -B build/mesh -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
-	@cmake --build build/mesh --parallel ${DAMASK_NUM_THRADS}
+	@cmake --build build/mesh --parallel
 	@cmake --install build/mesh
 
 .PHONY: clean
 clean:
 	@rm -rf build
-
-.PHONY: processing
-processing:
-	@./installation/symlink_Processing.py ${MAKEFLAGS}

PRIVATE

@@ -1 +1 @@
-Subproject commit 6abcd3dba91f37c747eae04c6695949e819ec54b
+Subproject commit f1ac733d5eb90de1cdcaf79a261157c9034f8136

cmake/Compiler-GNU.cmake

@@ -10,7 +10,7 @@ if (OPENMP)
 endif ()
 
 if (OPTIMIZATION STREQUAL "OFF")
-  set (OPTIMIZATION_FLAGS "-O0"       )
+  set (OPTIMIZATION_FLAGS "-O0")
 elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
   set (OPTIMIZATION_FLAGS "-O2")
 elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
@@ -117,6 +117,8 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
 # Runtime debugging
 set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
 # stop execution if floating point exception is detected (NaN is silent)
+# Additional options
+# -ffpe-trap=precision,denormal,underflow
 
 set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
 # Generate symbolic debugging information in the object file
@@ -126,8 +128,13 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
 set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
 # checks for (array-temps,bounds,do,mem,pointer,recursion)
 
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fstack-protector-all")
+# Inserts a guard variable onto the stack frame for all functions
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fsanitize=undefined")
+# detect undefined behavior
 # Additional options
-# -ffpe-trap=precision,denormal,underflow
+# -fsanitize=address,leak,thread
 
 #------------------------------------------------------------------------------------------------
 #  precision settings

examples/ConfigFiles/Homogenization_Damage_NonLocal.config

@@ -1,3 +0,0 @@
-damage        nonlocal
-initialDamage 1.0
-(output) damage

examples/ConfigFiles/Homogenization_Isostrain_SX.config

@@ -1,3 +0,0 @@
-[SX]
-mech	        isostrain
-nconstituents	1

examples/ConfigFiles/Homogenization_Isostrain_Taylor2.config

@@ -1,3 +0,0 @@
-[Taylor2]
-mech        	isostrain
-nconstituents	2

examples/ConfigFiles/Homogenization_None_Dummy.config

@@ -1,3 +0,0 @@
-[directSX]
-mech	none
-

examples/ConfigFiles/Homogenization_RGC_8Grains.config

@@ -1,19 +0,0 @@
-[8Grains]
-mech		    RGC
-nconstituents	8
-clustersize		2	2	2        # product of these numbers must be equal to nconstituents(!)
-clusterorientation	0.0	0.0	0.0      # orientation of cluster in terms of zxz Euler-angles in degree (random if not present)
-# clusterorientation	0.0	26.57	0.0      # [012]
-# clusterorientation	0.0	45.00	0.0      # [011]
-# clusterorientation	0.0	26.57	24.10    # [112]
-# clusterorientation	0.0	45.00	19.47    # [122]
-# clusterorientation	0.0	45.00	35.26    # [111]
-grainsize		4.0e-6	4.0e-6	2.0e-6   # in [m]
-overproportionality	2.0e+0                   # typical range between 0.001 to 1000
-scalingparameter	1.0e+1                   # typical range between 0.001 to 1000
-(output)		constitutivework
-(output)		magnitudemismatch
-(output)		penaltyenergy
-(output)		volumediscrepancy
-(output)		averagerelaxrate
-(output)		maximumrelaxrate

examples/ConfigFiles/Homogenization_Thermal_Conduction.config

@@ -1,3 +0,0 @@
-thermal        conduction
-t0             270.0
-(output) temperature

examples/ConfigFiles/Phase_Damage.config

@@ -1,2 +0,0 @@
-damage_diffusion11              1.0
-damage_mobility                 0.001

examples/ConfigFiles/Phase_None_IsotropicVolumePreservation.config

@@ -1,8 +0,0 @@
-[IsotropicVolumePreservation]                                                                                          
-elasticity          hooke                                                                           
-plasticity          none
-                                                                                                    
-### Material parameters ###                                                                         
-lattice_structure     iso
-C11                   100.0e9
-C12                    66.6666667e9  

examples/ConfigFiles/Phase_None_Orthorhombic.config

@@ -1,15 +0,0 @@
-[Orthorombic]
-
-elasticity              hooke
-plasticity              none
-
-lattice_structure       orthorhombic
-c11                     106.75e9
-c22                     106.75e9
-c33                     106.75e9
-c12                     60.41e9
-c13                     60.41e9
-c23                     60.41e9
-c44                     28.34e9
-c55                     28.34e9
-c66                     28.34e9

examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml

@@ -1,21 +0,0 @@
-# parameters fitted by D. Ma to:
-# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
-# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
-# DOI: 10.1016/S0749-6419(95)00043-7
-
-Gold:
-  lattice: cF
-  mechanical:
-    output: [F, P, F_e, F_p, L_p, O]
-    elastic: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9}
-    plastic:
-      type: phenopowerlaw
-      output: [xi_sl]
-      N_sl: [12]
-      n_sl: 83
-      dot_gamma_0_sl: 0.001
-      h_0_sl_sl: 75e6
-      h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
-      a_sl: 1.0
-      xi_0_sl: [26e6]
-      xi_inf_sl: [53e6]

examples/ConfigFiles/Phase_Thermal.config

@@ -1,4 +0,0 @@
-thermal_conductivity11    237.0
-specific_heat             910.0
-mass_density              2700.0
-reference_temperature     300.0

examples/ConfigFiles/Source_Damage_IsoBrittle.config

@@ -1,5 +0,0 @@
-(source) damage_isoBrittle
-isobrittle_criticalStrainEnergy 1400000.0
-isobrittle_atol                 0.01
-isobrittle_N                    1.0
-(output) isoBrittle_DrivingForce

examples/ConfigFiles/Source_Thermal_Dissipation.config

@@ -1,2 +0,0 @@
-(source) thermal_dissipation
-dissipation_ColdWorkCoeff 0.95

examples/ConfigFiles/debug.yaml

@@ -1,20 +0,0 @@
-### debugging parameters ###
-## case sensitive keys
-# example:
-# --------
-# mesh:   [basic, extensive]             # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
-#
-
-mesh:           [basic,extensive]                   # mesh.f90,            possible value:  basic, extensive
-material:       [basic, extensive]                  # material.f90,        possible values: basic, extensive
-constitutive:   [basic, extensive, selective]       # constitutive_*.f90   possible values: basic, extensive, selective
-crystallite:    [basic, extensive, selective]       # crystallite.f90      possible values: basic, extensive, selective
-homogenization: [basic, extensive, selective]       # homogenization_*.f90 possible values: basic, extensive, selective
-cpfem:          [basic, extensive, selective]       # CPFEM.f90            possible values: basic, extensive, selective
-grid:           [basic, fft, restart, divergence, rotation, petsc]                              # DAMASK_spectral.f90  possible values: basic, fft, restart, divergence, rotation, petsc
-marc:           [basic]                                  # MSC.MARC FEM solver  possible values: basic 
-#
-# Parameters for selective
-element:          1                    # selected element for debugging 
-integrationpoint: 1                    # selected integration point for debugging 
-grain:            1                    # selected grain at ip for debugging

examples/SpectralMethod/EshelbyInclusion/config/elastic_Ti.config

@@ -1,7 +0,0 @@
-elasticity	hooke
-
-c11     160.0e9
-c12      90.0e9
-c13      66.0e9
-c33     181.7e9
-c44      46.5e9

examples/SpectralMethod/EshelbyInclusion/config/elastic_fullyAnisotropic.config

@@ -1,11 +0,0 @@
-elasticity	hooke
-
-c11     100.0e9
-c22     100.0e9
-c33     100.0e9
-c12       0.0e9
-c13       0.0e9
-c23       0.0e9
-c44      50.0e9
-c55      50.0e9
-c66      50.0e9

examples/SpectralMethod/EshelbyInclusion/config/elastic_isotropic.config

@@ -1,4 +0,0 @@
-elasticity	hooke
-
-c11     100.0e9
-c12       0.0e9

examples/SpectralMethod/EshelbyInclusion/config/thermal.config

@@ -1,3 +0,0 @@
-reference_temperature   300.0
-specific_heat           1
-mass_density            1

examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_Ti.config

@@ -1,8 +0,0 @@
-(kinematics)            thermal_expansion
-thermal_expansion11     9.5e-6
-thermal_expansion22     9.5e-6
-thermal_expansion33     5.6e-6
-
-(source)                thermal_externalheat
-externalheat_time       0 500 500.001 1000        # 500 secs supplying 1 Watt, then removing 1 Watt
-externalheat_rate       1 1 -1 -1

examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_fullyAnisotropic.config

@@ -1,9 +0,0 @@
-(kinematics)            thermal_expansion
-thermal_expansion11      5e-6
-thermal_expansion22     10e-6
-thermal_expansion33     20e-6
-lattice_structure       orthorhombic
-
-(source)                thermal_externalheat
-externalheat_time       0 500 500.001 1000        # 500 secs supplying 1 Watt, then removing 1 Watt
-externalheat_rate       1 1 -1 -1

examples/SpectralMethod/EshelbyInclusion/config/thermalExpansion_isotropic.config

@@ -1,6 +0,0 @@
-(kinematics)            thermal_expansion
-thermal_expansion11     10e-6
-
-(source)                thermal_externalheat
-externalheat_time       0 500 500.001 1000        # 500 secs supplying 1 Watt, then removing 1 Watt
-externalheat_rate       1 1 -1 -1

examples/SpectralMethod/EshelbyInclusion/geom/Ti_Ti.geom

@@ -1,427 +0,0 @@
-9	header
-geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
-geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
-geom_translate v2.0.1-1073-gc544fa1 -s 1,2,2,6 Ti_Ti.geom
-geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
-grid	a 32	b 32	c 32
-size	x 0.5	y 0.5	z 0.5
-origin	x 0.25	y 0.25	z 0.25
-homogenization	1
-microstructures	2
-8623 of 2
-2 of 6
-29 of 2
-4 of 6
-27 of 2
-6 of 6
-26 of 2
-6 of 6
-27 of 2
-4 of 6
-29 of 2
-2 of 6
-798 of 2
-2 of 6
-28 of 2
-6 of 6
-25 of 2
-8 of 6
-24 of 2
-8 of 6
-23 of 2
-10 of 6
-22 of 2
-10 of 6
-23 of 2
-8 of 6
-24 of 2
-8 of 6
-25 of 2
-6 of 6
-28 of 2
-2 of 6
-701 of 2
-4 of 6
-26 of 2
-8 of 6
-23 of 2
-10 of 6
-22 of 2
-10 of 6
-21 of 2
-12 of 6
-20 of 2
-12 of 6
-20 of 2
-12 of 6
-20 of 2
-12 of 6
-21 of 2
-10 of 6
-22 of 2
-10 of 6
-23 of 2
-8 of 6
-26 of 2
-4 of 6
-637 of 2
-2 of 6
-27 of 2
-8 of 6
-23 of 2
-10 of 6
-21 of 2
-12 of 6
-20 of 2
-12 of 6
-20 of 2
-12 of 6
-19 of 2
-14 of 6
-18 of 2
-14 of 6
-19 of 2
-12 of 6
-20 of 2
-12 of 6
-20 of 2
-12 of 6
-21 of 2
-10 of 6
-23 of 2
-8 of 6
-27 of 2
-2 of 6
-604 of 2
-6 of 6
-24 of 2
-10 of 6
-21 of 2
-12 of 6
-20 of 2
-12 of 6
-19 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-19 of 2
-12 of 6
-20 of 2
-12 of 6
-21 of 2
-10 of 6
-24 of 2
-6 of 6
-572 of 2
-2 of 6
-27 of 2
-8 of 6
-23 of 2
-10 of 6
-21 of 2
-12 of 6
-19 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-17 of 2
-16 of 6
-16 of 2
-16 of 6
-17 of 2
-14 of 6
-18 of 2
-14 of 6
-18 of 2
-14 of 6
-19 of 2
-12 of 6
-21 of 2
-10 of 6
-23 of 2
-8 of 6
-27 of 2
-2 of 6
-541 of 2
-4 of 6
-26 of 2
-8 of 6
-22 of 2
-12 of 6
-20 of 2
-12 of 6
-19 of 2
-14 of 6
-18 of 2
-14 of 6
-17 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-17 of 2
-14 of 6
-18 of 2
-14 of 6
-19 of 2
-12 of 6
-20 of 2
-12 of 6
-22 of 2
-8 of 6
-26 of 2
-4 of 6
-539 of 2
-6 of 6
-24 of 2
-10 of 6
-21 of 2
-12 of 6
-19 of 2
-14 of 6
-18 of 2
-14 of 6
-17 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-16 of 2
-16 of 6
-17 of 2
-14 of 6
-18 of 2
-14 of 6
-19 of 2
-12 of 6
-21 of 2
-10 of 6
-24 of 2
-6 of 6
-538 of 2
-6 of 6
-24 of 2
-10 of 6
-21 of 2
-12 of 6
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-16 of 1
-16 of 5
-16 of 1
-16 of 5
-17 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-21 of 1
-10 of 5
-24 of 1
-6 of 5
-538 of 1
-6 of 5
-24 of 1
-10 of 5
-21 of 1
-12 of 5
-19 of 1
-14 of 5
-18 of 1
-14 of 5
-17 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-17 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-21 of 1
-10 of 5
-24 of 1
-6 of 5
-539 of 1
-4 of 5
-26 of 1
-8 of 5
-22 of 1
-12 of 5
-20 of 1
-12 of 5
-19 of 1
-14 of 5
-18 of 1
-14 of 5
-17 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-16 of 1
-16 of 5
-17 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-20 of 1
-12 of 5
-22 of 1
-8 of 5
-26 of 1
-4 of 5
-541 of 1
-2 of 5
-27 of 1
-8 of 5
-23 of 1
-10 of 5
-21 of 1
-12 of 5
-19 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-17 of 1
-16 of 5
-16 of 1
-16 of 5
-17 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-21 of 1
-10 of 5
-23 of 1
-8 of 5
-27 of 1
-2 of 5
-572 of 1
-6 of 5
-24 of 1
-10 of 5
-21 of 1
-12 of 5
-20 of 1
-12 of 5
-19 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-20 of 1
-12 of 5
-21 of 1
-10 of 5
-24 of 1
-6 of 5
-604 of 1
-2 of 5
-27 of 1
-8 of 5
-23 of 1
-10 of 5
-21 of 1
-12 of 5
-20 of 1
-12 of 5
-20 of 1
-12 of 5
-19 of 1
-14 of 5
-18 of 1
-14 of 5
-19 of 1
-12 of 5
-20 of 1
-12 of 5
-20 of 1
-12 of 5
-21 of 1
-10 of 5
-23 of 1
-8 of 5
-27 of 1
-2 of 5
-637 of 1
-4 of 5
-26 of 1
-8 of 5
-23 of 1
-10 of 5
-22 of 1
-10 of 5
-21 of 1
-12 of 5
-20 of 1
-12 of 5
-20 of 1
-12 of 5
-20 of 1
-12 of 5
-21 of 1
-10 of 5
-22 of 1
-10 of 5
-23 of 1
-8 of 5
-26 of 1
-4 of 5
-701 of 1
-2 of 5
-28 of 1
-6 of 5
-25 of 1
-8 of 5
-24 of 1
-8 of 5
-23 of 1
-10 of 5
-22 of 1
-10 of 5
-23 of 1
-8 of 5
-24 of 1
-8 of 5
-25 of 1
-6 of 5
-28 of 1
-2 of 5
-798 of 1
-2 of 5
-29 of 1
-4 of 5
-27 of 1
-6 of 5
-26 of 1
-6 of 5
-27 of 1
-4 of 5
-29 of 1
-2 of 5
-8623 of 1

examples/SpectralMethod/EshelbyInclusion/material.config

@@ -1,122 +0,0 @@
-#-------------------#
-<homogenization>
-#-------------------#
-
-[direct]
-mech	none
-
-thermal                 adiabatic
-t0                      330.0
-(output)                temperature
-
-#-------------------#
-<phase>
-#-------------------#
-
-#.................
-[isotropic matrix]
-
-lattice_structure iso
-plasticity	none
-{config/elastic_isotropic.config}
-{config/thermal.config}
-
-(output)                f
-(output)                p
-(output)                fe
-(output)                fi
-(output)                fp
-
-#.................
-[Ti matrix]
-
-lattice_structure   hex
-c/a        1.587
-plasticity	        none
-{config/elastic_Ti.config}
-{config/thermal.config}
-
-(output)                f
-(output)                p
-(output)                fe
-(output)                fi
-(output)                fp
-
-#.................
-[isotropic inclusion]
-
-lattice_structure   iso
-plasticity	none
-{config/elastic_isotropic.config}
-{config/thermal.config}
-{config/thermalExpansion_isotropic.config}
-
-(output)                f
-(output)                p
-(output)                fe
-(output)                fi
-(output)                fp
-
-#.................
-[anisotropic inclusion]
-
-lattice_structure   orthorhombic
-plasticity	none
-{config/elastic_fullyAnisotropic.config}
-{config/thermal.config}
-{config/thermalExpansion_fullyAnisotropic.config}
-
-(output)                f
-(output)                p
-(output)                fe
-(output)                fi
-(output)                fp
-
-#.................
-[Ti inclusion]
-
-lattice_structure   hex
-c/a		        1.587
-plasticity	        none
-{config/elastic_Ti.config}
-{config/thermal.config}
-{config/thermalExpansion_Ti.config}
-
-(output)                f
-(output)                p
-(output)                fe
-(output)                fi
-(output)                fp
-
-#--------------------------#
-<microstructure>
-#--------------------------#
-
-[isotropic matrix]
-(constituent)	phase 1	texture 1	fraction 1.0
-
-[Ti matrix]
-(constituent)	phase 2	texture 1	fraction 1.0
-
-[isotropic inclusion]
-(constituent)	phase 3	texture 1	fraction 1.0
-
-[anisotropic inclusion]
-(constituent)	phase 4	texture 1	fraction 1.0
-
-[rotated inclusion]
-(constituent)	phase 4	texture 2	fraction 1.0
-
-[Ti inclusion]
-(constituent)	phase 5	texture 1	fraction 1.0
-
-#--------------------------#
-<texture>
-#--------------------------#
-
-[cube]
-(gauss)	phi1	0.0	Phi	0.0	phi2	0.0
-
-[rotated]
-(gauss)	phi1	0.0	Phi	45.0	phi2	0.0
-

examples/SpectralMethod/EshelbyInclusion/numerics.config

@@ -1,5 +0,0 @@
-#spectralsolver polarisation
-spectralderivative fwbw_difference
-err_div_tolrel  1e-3
-itmin 2
-petsc_options -mech_snes_type anderson -mech_snes_anderson_beta 1.0 -mech_snes_anderson_restart 10 -thermal_snes_type anderson -thermal_snes_anderson_beta 1.0 

examples/SpectralMethod/EshelbyInclusion/thermal.load

@@ -1 +0,0 @@
-Fdot 0 0 0  0 0 0  0 0 0 stress * * *  * * *  * * * time 1000 incs 10

examples/config/Phase_Nonlocal_Aluminum.config

@@ -1,6 +1,4 @@
 [Aluminum]
-
-elasticity              hooke
 plasticity              nonlocal
 /nonlocal/
 
@@ -25,10 +23,6 @@ plasticity              nonlocal
 lattice_structure       fcc
 Nslip                   12                       # number of slip systems
 
-c11                     106.75e9                 # elastic constants
-c12                     60.41e9
-c44                     28.34e9
-
 burgers                 2.86e-10                 # Burgers vector in m
 rhoSglEdgePos0          0.25e10                  # Initial positive edge single dislocation density in m/m**3 (per slip family)
 rhoSglEdgeNeg0          0.25e10                  # Initial negative edge single dislocation density in m/m**3 (per slip family)

examples/config/Phase_Nonlocal_Nickel.config

@@ -24,9 +24,6 @@ plasticity              nonlocal
 
 lattice_structure       fcc
 Nslip                   12               # number of slip systems per family
-c11                     246.5e9
-c12                     147.3e9
-c44                     124.7e9
 burgers                 2.48e-10        # Burgers vector in m
 rhoSglEdgePos0          6e10             # Initial positive edge single dislocation density in m/m**3
 rhoSglEdgeNeg0          6e10             # Initial negative edge single dislocation density in m/m**3

examples/config/Phase_Phenopowerlaw_Magnesium.yaml

@@ -25,4 +25,4 @@ Magnesium:
       dot_gamma_0_tw: 0.001
       n_sl: 20
       n_tw: 20
-      f_sl_sat_tw: 10.0
+      f_sat_sl_tw: 10.0

examples/config/debug.yaml

@@ -0,0 +1,12 @@
+phase: [basic, extensive, selective]
+CPFEM: [basic, extensive, selective]
+
+# options for selective debugging
+element: 1
+integrationpoint: 1
+constituent: 1
+
+# solver-specific
+mesh: [PETSc]
+grid: [basic, rotation, PETSc]
+Marc: [basic]

examples/config/homogenization/mechanical/RGC_8grains.yaml

@@ -0,0 +1,10 @@
+8Grains:
+  N_constituents: 8
+  mechanical:
+    type: RGC
+    D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
+    a_g: [0.0, 0.0, 0.0]
+    c_alpha: 2.0
+    cluster_size: [2, 2, 2]
+    output: [M, Delta_V, avg_a_dot, max_a_dot]
+    xi_alpha: 10.0

examples/config/homogenization/mechanical/isostrain_Taylor2.yaml

@@ -0,0 +1,3 @@
+Taylor2:
+  N_constituents: 2
+  mechanical: {type: isostrain}

examples/config/numerics.yaml

@@ -42,12 +42,10 @@ grid:
   fftw_plan_mode:              FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
   maxCutBack:                  3            # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
   maxStaggeredIter:            10           # max number of field level staggered iterations
-
   memory_efficient:            1            # Precalculate Gamma-operator (81 double per point)
   update_gamma:                false        # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
   divergence_correction:       2            # Use size-independent divergence criterion
   derivative:                  continuous   # Approximation used for derivatives in Fourier space
-  solver:                      Basic        # Type of spectral solver (BasicPETSc/Polarisation/FEM)
   petsc_options:               -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
   alpha:                       1.0          # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
   beta:                        1.0          # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme

examples/config/phase/Al.yaml

@@ -0,0 +1,4 @@
+lattice: cF
+rho: 2700
+references:
+  - en.wikipedia.org/wiki/Aluminium

examples/config/phase/Fe.yaml

@@ -0,0 +1,4 @@
+lattice: cI
+rho: 7874
+references:
+  - en.wikipedia.org/wiki/Iron

examples/config/phase/Ni.yaml

@@ -0,0 +1,4 @@
+lattice: cF
+rho: 8908
+references:
+  - en.wikipedia.org/wiki/Nickel

examples/config/phase/alpha-Ti.yaml

@@ -0,0 +1,2 @@
+lattice: hP
+c/a: 1.587

examples/config/phase/bcc.yaml

@@ -0,0 +1 @@
+lattice: cI

examples/config/phase/damage/anisobrittle_cubic.yaml

@@ -0,0 +1,8 @@
+N_cl: [3]
+dot_o: 1e-3
+g_crit: [0.50e7]
+q: 20
+s_crit: [0.006666]
+type: anisobrittle
+D_11: 1.0
+M: 0.001

examples/config/phase/fcc.yaml

@@ -0,0 +1 @@
+lattice: cF

examples/config/phase/mechanical/elastic/Hooke_Al.yaml

@@ -0,0 +1,8 @@
+type: Hooke
+references:
+  - J. Vallin et al.,
+    Journal of Applied Physics 35(6), 1825-1826, 1964,
+    10.1063/1.1713749
+C_11: 107.3e9
+C_12: 60.8e9
+C_44: 28.3e9

examples/config/phase/mechanical/elastic/Hooke_Au.yaml

@@ -0,0 +1,8 @@
+type: Hooke
+references:
+  - J.P. Hirth and J. Lothe,
+    Theory of Dislocations, 1982,
+    John Wiley & Sons
+C_11: 186e9
+C_12: 157e9
+C_44: 42e9

examples/config/phase/mechanical/elastic/Hooke_Fe.yaml

@@ -0,0 +1,8 @@
+type: Hooke
+references:
+  - J.P. Hirth and J. Lothe,
+    Theory of Dislocations, 1982,
+    John Wiley & Sons
+C_11: 242e9
+C_12: 146.5e9
+C_44: 11.2e9

examples/config/phase/mechanical/elastic/Hooke_Ni.yaml

@@ -0,0 +1,8 @@
+type: Hooke
+references:
+  - J.P. Hirth and J. Lothe,
+    Theory of Dislocations, 1982,
+    John Wiley & Sons
+C_11: 246.5e9
+C_12: 147.3e9
+C_44: 124.7e9

examples/config/phase/mechanical/elastic/Hooke_cpTi.yaml

@@ -0,0 +1,10 @@
+type: Hooke
+references:
+  - L. Wang et al.,
+    Acta Materialia 132, 598-610, 2017,
+    10.1016/j.actamat.2017.05.015
+C_11: 162.4e9
+C_33: 181.6e9
+C_44: 47.2e9
+C_12: 92e9
+C_13: 69e9

examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml

@@ -0,0 +1,23 @@
+type: dislotwin
+references:
+  - K. Sedighiani et al.,
+    International Journal of Plasticity, 134, 102779, 2020
+    10.1016/j.ijplas.2020.102779
+  - K. Sedighiani et al.,
+    Mechanics of Materials, submitted
+N_sl: [12, 12]
+b_sl: [2.49e-10, 2.49e-10]
+rho_mob_0: [2.81e12, 2.8e12]
+rho_dip_0: [1.0, 1.0] # not given
+v_0: [1.4e3, 1.4e3]
+Q_s: [1.57e-19, 1.57e-19] # Delta_F
+tau_0: [454e6, 454e6]
+p_sl: [0.325, 0.325]
+q_sl: [1.55, 1.55]
+i_sl: [23.3, 23.3]
+D_a: 7.4 # C_anni
+B: [0.001, 0.001]
+h_sl_sl: [0.1, 0.1, 0.72, 0.053, 0.137, 0.073]
+D_0: 4.000E-05
+Q_cl: 5.400E-19 # no recovery!
+D: 40e-6 # estimated

examples/config/phase/mechanical/plastic/phenopowerlaw_Au.yaml

@@ -0,0 +1,14 @@
+# parameters fitted by D. Ma to:
+# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
+# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
+# DOI: 10.1016/S0749-6419(95)00043-7
+type: phenopowerlaw
+output: [xi_sl]
+N_sl: [12]
+n_sl: 83
+dot_gamma_0_sl: 0.001
+h_0_sl_sl: 75e6
+h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+a_sl: 1.0
+xi_0_sl: [26e6]
+xi_inf_sl: [53e6]

examples/config/phase/thermal/adiabatic.yaml

@@ -0,0 +1,4 @@
+c_p: 1
+K_11: 0
+K_22: 0
+K_33: 0

examples/config/phase/thermal/fast-convection.yaml

@@ -0,0 +1,4 @@
+c_p: 1
+K_11: 1e30
+K_22: 1e30
+K_33: 1e30

examples/config/phase/thermal/source/dissipation_generic.yaml

@@ -0,0 +1,2 @@
+type: dissipation
+kappa: .9

examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml

@@ -0,0 +1,3 @@
+type: externalheat
+f_T: [1, 1, 0, 0]
+t_n: [0, 500, 500.001, 1000]

examples/grid/20grains.seeds

@@ -1,6 +1,3 @@
-3 header
-grid  a 16    b 16    c 16
-random seed        0
 1_pos      2_pos      3_pos    1_euler 2_euler 3_euler
 0.375488   0.161813   0.891040 197.572861  16.816409 129.422844
 0.187988   0.849313   0.953540 257.468172  53.250534 157.331503

examples/grid/material.yaml

@@ -4,6 +4,25 @@ homogenization:
     N_constituents: 1
     mechanical: {type: pass}
 
+phase:
+  Aluminum:
+    lattice: cF
+    mechanical:
+      output: [F, P, F_e, F_p, L_p, O]
+      elastic: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
+      plastic:
+        type: phenopowerlaw
+        N_sl: [12]
+        a_sl: 2.25
+        atol_xi: 1.0
+        dot_gamma_0_sl: 0.001
+        h_0_sl_sl: 75e6
+        h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+        n_sl: 20
+        output: [xi_sl]
+        xi_0_sl: [31e6]
+        xi_inf_sl: [63e6]
+
 material:
   - homogenization: SX
     constituents:
@@ -105,22 +124,3 @@ material:
       - phase: Aluminum
         v: 1.0
         O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
-
-phase:
-  Aluminum:
-    lattice: cF
-    mechanical:
-      output: [F, P, F_e, F_p, L_p, O]
-      elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
-      plastic:
-        N_sl: [12]
-        a_sl: 2.25
-        atol_xi: 1.0
-        dot_gamma_0_sl: 0.001
-        h_0_sl_sl: 75e6
-        h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
-        n_sl: 20
-        output: [xi_sl]
-        type: phenopowerlaw
-        xi_0_sl: [31e6]
-        xi_inf_sl: [63e6]

examples/mesh/material.yaml

@@ -1,15 +1,16 @@
 homogenization:
   SX:
     N_constituents: 1
-    mechanics: {type: none}
+    mechanics: {type: pass}
 
 phase:
   Aluminum:
     lattice: cF
     mechanics:
       output: [F, P, F_e, F_p, L_p]
-      elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
+      elasticity: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
       plasticity:
+        type: phenopowerlaw
         N_sl: [12]
         a_sl: 2.25
         atol_xi: 1.0
@@ -18,508 +19,507 @@ phase:
         h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
         n_sl: 20
         output: [xi_sl]
-        type: phenopowerlaw
         xi_0_sl: [31e6]
         xi_inf_sl: [63e6]
 
 material:
   - constituents:
       - O: [0.12807292351503236, 0.22200469518411023, 0.6352813278477609, -0.7285114110750144]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.372279509887385, 0.7538147166654958, 0.5325170025119552, -0.09796418474222598]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.36250483607280015, 0.1909385526545633, 0.22801354774620894, 0.883256777487838]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.732294920525089, 0.5171063011556195, -0.1407961220188403, 0.4201448258669421]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.708826030342622, -0.6702053835750753, -0.20103371291967786, -0.08930760776907508]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.5987257793404215, -0.07651654961032513, 0.5682302685884709, 0.5592736545277363]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.06694940093926707, -0.30782756132267486, -0.12043616569331547, 0.9414112279960869]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.18461382116884548, -0.6204161624733774, -0.29958251820830917, 0.700893599028564]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.9169840196863235, -0.06434514294945529, -0.39316017660689456, -0.02061760774585527]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.6721337568887824, 0.25328061978301336, 0.695177984796291, 0.028508068111876502]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.5634397986285561, 0.5706880594373327, 0.08060455928790704, 0.5919067808017289]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.5400408176755693, -0.4956697116684921, 0.14064883310776702, 0.6654963245008945]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.07812412485408982, 0.5540083408137547, 0.5031719732018802, -0.6586268631089227]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.41240828720357114, -0.026821321952330345, -0.06656740215323173, -0.9081678271691396]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.3658567189933218, -0.6119251240676276, 0.3102501533620181, -0.6288412725331445]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
       - O: [0.2308179184918794, 0.26432722557112004, -0.14038019870347257, -0.925822664518926]
-        fraction: 1.0
+        v: 1.0
         phase: Aluminum
     homogenization: SX
   - constituents:
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installation/mods_MarcMentat/2018.1/Marc_tools/comp_damask_hmp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018.1/Marc_tools/comp_damask_lmp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018.1/Marc_tools/comp_damask_mp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018.1/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/2018.1/Marc_tools/include_linux64

@@ -1,804 +0,0 @@
-#
-#                 General definitions for the Marc 2018.1 version
-#
-#                         EM64T
-#
-#                         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 17.0.2.174 Build 20170213
-#
-#                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
-#
-#                         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 2017.1
-#                             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
-
-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
-#   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:$PATH"
- else
-  FCOMPROOT=
- fi
-else
- FCOMPROOT=
-fi
-
-# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
-H5FC="$(h5fc -shlib -show)"
-HDF5_LIB=${H5FC//ifort/}
-FCOMP="$H5FC -DDAMASK_HDF5"
-
-# AEM
-if test "$MARCDLLOUTDIR" = ""; then
- DLLOUTDIR="$MARC_LIB"
-else
- DLLOUTDIR="$MARCDLLOUTDIR"
-fi
-
-# settings for MKL
-if test "$IMKLDIR" = ""; then
-  MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
-else
-  MARC_MKL=$IMKLDIR/lib/intel64
-fi
-
-#
-# settings for Metis
-#
-METIS="-I$METIS_SOURCE/include"
-METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
-
-#
-# settings for MPI
-#
-# RCP and RSH are used for parallel network runs
-#    replace with similar commands like rsh if needed
-RCP=/usr/bin/scp
-RSH=/usr/bin/ssh
-#
-
-
-MPI_DEFAULT=intelmpi
-MPI_OTHER=hpmpi
-
-MPITYPE=$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/"
-
-# 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
-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${MPI_ROOT}/include -DDDM"
-  PATH=$MPI_ROOT/bin:$PATH
-  export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
-  export LD_LIBRARY_PATH
-  if test $INTELMPI_VERSION = HYDRA
-  then
-    RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
-  else
-    RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
-  fi
-  RUN_JOB0=
-  MPI_CLEAN=
-  MPI_EPATH=$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 "$_OEM_NASTRAN" -ne 0
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
- MARC_DLL=NONE
-fi
-if test "$AEM_DLL" -eq 1
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
-fi
-
-#
-#  define Fortran and C compile syntax
-#
-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 "$MARC_INTEGER_SIZE" = "i4" ; then
-  I8FFLAGS=
-  I8DEFINES=
-  I8CDEFINES=
-else
-  I8FFLAGS="-i8 -integer-size 64"
-  I8DEFINES="-DI64 -DINT=8"
-  I8CDEFINES="-U_DOUBLE -D_SINGLE"
-fi
-
-MTHREAD=OPENMP
-if test "$MARC_OPENMP" = "NONE" ; then
-  MTHREAD=NONE
-fi
-#MTHREAD=NONE
-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
-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 $I8CDEFINES"
-
-if test "$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="$CINCL -I../../include"
-fi
-
-CC_OPT=
-if test "$MTHREAD" = "OPENMP"
-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 $CC_OPT -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 $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-fi
-
-LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
-CCT="$CC"
-CCTLOW="$CCLOW"
-CCTHIGH="$CCHIGH"
-
-#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 "$MARCCODECOV" = "ON"
-then
-PROFILE="-prof-gen=srcpos"
-fi
-if test "$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 \
-  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-  $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 \
-  $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 \
-  $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
-  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  $I8FFLAGS -I$MARC_SOURCE/common \
- -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\
-  $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 \
- -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\
-  $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 $I8FFLAGS -I$MARC_SOURCE/common \
- -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\
-  $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 \
-    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-    $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 \
-    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-    $MUMPS_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"
-
-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/include -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin/$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
-  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"
- 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
-
-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=$LOADT
- EXT_DLL="so"
-fi
-
-
-XLIBS="-L/usr/X11/lib -lX11 "
-
-#
-#  define archive and ranlib syntax
-#
-
-ARC="ar rvl"
-ARD="ar dvl"
-ARX="ar xl"
-RAN=""
-
-#
-#  choose which libraries you want to use ( e.g. blas )
-#
-
-if test "$VKISOLVER" = VKI
-then
-  VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
-else
-  VKISOLVERLIBS=
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
-else
-  CASISOLVERLIBS=
-fi
-
-MF2SOLVERLIBS=
-if test "$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="$MUMPSLIB_DIR/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_intelmpi_lp64.a"
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
-   fi
-  fi
-else
-  MUMPSSOLVERLIBS=
-  MUMPSSOLVERLIBS2=
-fi
-
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda       -lmarccuda "
-  MARCCUDALIBS=$MARCCUDALIBS1
-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_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_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} \
-  $MKLLIB -L$MARC_MKL -liomp5 \
-  $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF5_LIB "
-
-SOLVERLIBS_DLL=${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="$MARC_LIB/stubs.a "
-MNFLIBS="$MARC_LIB/libmnf.a"
-MDUSER="$MARC_LIB/md_user.a"
-if test "X$MARC_SIMUFACT" != "X"
-then
- SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
-else
- SFLIB=" "
-fi
-
-OPENMP="-qopenmp"
-
-if test "$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 $MPITYPE = intelmpi
-# then
-#  SYSLIBS="-L${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}/lib -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
-
-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 "
-
-
-
-MAXNUM=1000000

installation/mods_MarcMentat/2018.1/Marc_tools/include_linux64.original

@@ -1,774 +0,0 @@
-#
-#                 General definitions for the Marc 2018.1 version
-#
-#                         EM64T
-#
-#                         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 17.0.2.174 Build 20170213
-#
-#                         Intel(R) C Intel(R) 64 Compiler XE for applications 
-#                         running on Intel(R) 64, Version 17.0.2.174 Build 20170213
-#
-#                         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 2017.1
-#                             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_2017/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:$PATH"
- else
-  FCOMPROOT=
- fi
-else
- FCOMPROOT=
-fi
-
-# AEM
-if test "$MARCDLLOUTDIR" = ""; then
- DLLOUTDIR="$MARC_LIB"
-else
- DLLOUTDIR="$MARCDLLOUTDIR"
-fi
-
-# settings for MKL
-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="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
-
-#
-# settings for MPI
-#
-# RCP and RSH are used for parallel network runs
-#    replace with similar commands like rsh if needed
-RCP=/usr/bin/scp
-RSH=/usr/bin/ssh
-#
-
-
-MPI_DEFAULT=intelmpi
-MPI_OTHER=hpmpi
-
-MPITYPE=$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/"
-
-# 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
-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${MPI_ROOT}/include -DDDM"
-  PATH=$MPI_ROOT/bin:$PATH
-  export PATH
-  LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
-  export LD_LIBRARY_PATH
-  if test $INTELMPI_VERSION = HYDRA
-  then
-    RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
-    RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
-  else
-    RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
-    RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
-  fi
-  RUN_JOB0=
-  MPI_CLEAN=
-  MPI_EPATH=$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 "$_OEM_NASTRAN" -ne 0
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
- MARC_DLL=NONE
-fi
-if test "$AEM_DLL" -eq 1
-then
- VKISOLVER=NONE
- CASISOLVER=NONE
- MF2SOLVER=NONE
- INTELSOLVER=NONE
- MUMPSSOLVER=NONE
- BCSGPUSOLVER=NONE
-fi
-
-#
-#  define Fortran and C compile syntax
-#
-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 "$MARC_INTEGER_SIZE" = "i4" ; then
-  I8FFLAGS=
-  I8DEFINES=
-  I8CDEFINES=
-else
-  I8FFLAGS="-i8"
-  I8DEFINES="-DI64"
-  I8CDEFINES="-U_DOUBLE -D_SINGLE"
-fi
-
-MTHREAD=OPENMP
-if test "$MARC_OPENMP" = "NONE" ; then
-  MTHREAD=NONE
-fi
-#MTHREAD=NONE
-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
-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 $I8CDEFINES"
-
-if test "$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="$CINCL -I../../include"
-fi
-
-CC_OPT=
-if test "$MTHREAD" = "OPENMP"
-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 $CC_OPT -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 $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
-fi
-
-LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
-CCT="$CC"
-CCTLOW="$CCLOW"
-CCTHIGH="$CCHIGH"
-
-#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 "$MARCCODECOV" = "ON"
-then
-PROFILE="-prof-gen=srcpos"
-fi
-if test "$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=" $FORT_OPT -qopenmp"
-  if test "$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 \
-  $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-  $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 \
-  $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 \
-  $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 \
-    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-    $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 \
-    $MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
-  FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-    $MUMPS_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"
-
-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/include -I$VT_ROOT/include"
-#  LOAD="$MPI_ROOT/bin/$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
-  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"
- 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
-
-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=$LOADT
- EXT_DLL="so"
-fi
-
-
-XLIBS="-L/usr/X11/lib -lX11 "
-
-#
-#  define archive and ranlib syntax
-#
-
-ARC="ar rvl"
-ARD="ar dvl"
-ARX="ar xl"
-RAN=""
-
-#
-#  choose which libraries you want to use ( e.g. blas )
-#
-
-if test "$VKISOLVER" = VKI
-then
-  VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
-else
-  VKISOLVERLIBS=
-fi
-
-if test "$CASISOLVER" = CASI
-then
-  CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
-else
-  CASISOLVERLIBS=
-fi
-
-MF2SOLVERLIBS=
-if test "$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="$MUMPSLIB_DIR/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_intelmpi_lp64.a"
-   else
-    MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
-   fi
-  fi
-else
-  MUMPSSOLVERLIBS=
-  MUMPSSOLVERLIBS2=
-fi
-
-if test "$BCSGPUSOLVER" = BCSGPU
-then
-  BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
-  MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
-  MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda       -lmarccuda "
-  MARCCUDALIBS=$MARCCUDALIBS1
-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_intel_thread.a $MARC_MKL/libmkl_core.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_intel_thread.a $MARC_MKL/libmkl_core.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}
-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="$MARC_LIB/stubs.a "
-MNFLIBS="$MARC_LIB/libmnf.a"
-MDUSER="$MARC_LIB/md_user.a"
-if test "X$MARC_SIMUFACT" != "X"
-then
- SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
-else
- SFLIB=" "
-fi
-
-OPENMP="-qopenmp"
-
-if test "$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
-# 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}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
-fi
-
-
-SYSLIBSPAR=" "
-
-MARC_DLL_CODES="runmarc.f"
-
-
-BLAS_SRC="dzero.f icopy.f izero.f"
-if test "$_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
-
-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 "
-
-
-
-MAXNUM=1000000

installation/mods_MarcMentat/2018.1/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/2018.1/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/2018.1/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/2018.1/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/2018.1/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/2018.1/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/2018.1/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=/tmp/msc/marc2018.1
-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/2018.1/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/2018.1/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/2018.1/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/Marc_tools/comp_damask_hmp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018/Marc_tools/comp_damask_lmp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018/Marc_tools/comp_damask_mp

@@ -1,53 +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
-    /bin/rm $DIRJOB/*.smod

installation/mods_MarcMentat/2018/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