/
software.yml
177 lines (169 loc) · 5.29 KB
/
software.yml
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dummy_software:
instances:
- num_cores: 1
executable: hpcflow
formable:
instances:
- num_cores: 1
version_info:
formable:
version: "0.1.20"
sources_preparation:
env: |
module load apps/binapps/anaconda3/2019.07
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/formable_env
export HDF5_USE_FILE_LOCKING=FALSE
executable: python <<sources_dir>>/<<script>>.py
env: |
module load apps/binapps/anaconda3/2019.07
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/formable_env
export HDF5_USE_FILE_LOCKING=FALSE
task_preparation:
env: export HDF5_USE_FILE_LOCKING=FALSE
task_processing:
env: export HDF5_USE_FILE_LOCKING=FALSE
DAMASK:
instance_defaults:
env: |
module purge
module load tools/env/proxy
module load mpi/intel-18.0/openmpi/4.1.0
module load tools/gcc/cmake/3.13.2
module load apps/binapps/anaconda3/2020.07
export PETSC_DIR=/mnt/eps01-rds/jf01-home01/shared/petsc-3.15.2
export PETSC_ARCH=mkl-opt
export DAMASK_ROOT=/mnt/eps01-rds/jf01-home01/shared/DAMASK-v3a3
export HDF5_USE_FILE_LOCKING=FALSE
source $DAMASK_ROOT/env/DAMASK.sh
export OMP_NUM_THREADS=1
PATH=$PETSC_DIR/$PETSC_ARCH/bin:$PATH
LD_LIBRARY_PATH=$PETSC_DIR/$PETSC_ARCH/lib:$LD_LIBRARY_PATH
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/damask_v3a3_final_env
executable: DAMASK_grid
task_preparation:
env: |
export HDF5_USE_FILE_LOCKING=FALSE
export OMP_NUM_THREADS=1
task_processing:
env: |
export HDF5_USE_FILE_LOCKING=FALSE
export OMP_NUM_THREADS=1
instances:
- num_cores: 1
- num_cores: [2, 32, 1]
required_scheduler_options:
pe: smp.pe
MTEX:
instance_defaults:
env: |
module load apps/binapps/matlab/R2019a
module load apps/binapps/matlab/third-party-toolboxes/mtex/5.3.1
executable: <<sources_dir>>/run_<<script>>.sh $MATLAB_HOME
version_info:
MATLAB:
version: R2019a (9.6.0.1072779) 64-bit (glnxa64)
MTEX:
version: "5.3.1"
sources_preparation:
env: |
module load apps/binapps/matlab/R2019a
module load apps/binapps/matlab/third-party-toolboxes/mtex/5.3.1
instances:
- num_cores: 1
sources_preparation:
commands: |
mcc -d <<sources_dir>> -R -singleCompThread -m <<sources_dir>>/<<script>>.m $(cat $MTEX_INCLUDE | envsubst)
- num_cores: 16
required_scheduler_options:
pe: smp.pe
l: ivybridge
sources_preparation:
commands: |
mcc -d <<sources_dir>> -m <<sources_dir>>/<<script>>.m $(cat $MTEX_INCLUDE | envsubst)
DefDAP:
instances:
- num_cores: 1
version_info:
defdap:
version: "0.93.4"
sources_preparation:
env: |
module load apps/binapps/anaconda3/2019.07
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/defdap_env_2
export HDF5_USE_FILE_LOCKING=FALSE
executable: python <<sources_dir>>/<<script>>.py
env: |
module load apps/binapps/anaconda3/2019.07
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/defdap_env_2
export HDF5_USE_FILE_LOCKING=FALSE
task_preparation:
env: export HDF5_USE_FILE_LOCKING=FALSE
task_processing:
env: export HDF5_USE_FILE_LOCKING=FALSE
neper:
instance_defaults:
env: |
module load apps/gcc/neper/4.0.1
executable: neper
version_info:
neper:
version: "4.0.1"
instances:
- num_cores: 1
abaqus:
instances:
- env: | # neper gives access to gmsh
module load apps/binapps/abaqus/2020
module load apps/gcc/neper/4.0.1
task_preparation:
env: | # neper gives access to gmsh
module load apps/gcc/neper/4.0.1
executable: abq2020
version_info:
abaqus:
version: "2020"
num_cores: 1
- env: | # neper gives access to gmsh
module load apps/binapps/abaqus/2020
module load apps/gcc/neper/4.0.1
task_preparation:
env: | # neper gives access to gmsh
module load apps/gcc/neper/4.0.1
executable: abq2020
version_info:
abaqus:
version: "2020"
num_cores: [2, 32, 1]
required_scheduler_options:
pe: smp.pe
Dream3D:
instances:
- num_cores: 1
env: |
PATH=$PATH:/mnt/eps01-rds/jf01-home01/shared/DREAM3D-6.5.141-Linux-x86_64/bin
executable: PipelineRunner
version_info:
Dream3D:
version: "6.5.141"
cipher:
instance_defaults:
version_info:
cipher_parse:
version: '0.5.1a0'
executable: cipher.exe
env: |
module load apps/binapps/anaconda3/2020.07
module load apps/binapps/paraview/5.6.0
source activate /mnt/eps01-rds/jf01-home01/shared/.conda/cipher_parse_develop_env
export HDF5_USE_FILE_LOCKING=FALSE
export OMP_NUM_THREADS=1
source /mnt/eps01-rds/jf01-home01/shared/software/cipher_env.sh
task_preparation:
env: export HDF5_USE_FILE_LOCKING=FALSE
task_processing:
env: export HDF5_USE_FILE_LOCKING=FALSE
instances:
- num_cores: 1
- num_cores: [2, 32, 1]
required_scheduler_options:
pe: smp.pe