Abaqus []

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===== Abaqus =====

Before you run your batch script, you may execute 

<code>
newgrp G_ABAQUS
</code>

Now your current working directory is ''/hpc/group/G_ABAQUS''. Create and use your own sub-directory.

Load Abaqus module

<code>
module load abaqus
</code>

and submit from this new shell.

=== Command line options ===

  * **job:** job name
  * **input:** input file
  * **user:** user privided source file or object file
  * **scratch:** full path name of the directory to be used for scratch files. The default value on Linux is the value of the ''$TMPDIR'' environment variable or /tmp if ''$TMPDIR'' is not defined. During the analysis a subdirectory will be created under this directory to hold the analysis scratch files. The name of the subdirectory is constructed from the user's user name, the job ID, and the job's process number. The subdirectory and its contents are deleted upon completion of the analysis.

==== Job Abaqus MPI ==== 
 
Example script ''slurm-abaqus.sh'' to run Abacus on 1 node, 6 cores, 0 GPUs:

<code bash slurm-abaqus.sh>
#!/bin/bash
#SBATCH --job-name=abaqus
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=28
#SBATCH --mem=94G
#SBATCH --time=3-00:00:00
#SBATCH --partition=cpu
#
# Edit next line
#SBATCH --account=<account>

echo "$SLURM_JOB_NODELIST"

# Modules required by Abacus (choose one of the following two possibilities)
#module load intel impi abaqus
module load gnu openmpi abaqus

ulimit -s unlimited
ulimit -s

abaqus job=testverita interactive ask_delete=OFF cpus=$SLURM_NTASKS_PER_NODE
</code>

==== Job Abaqus MPI with GPU ==== 

Example script ''slurm-abaqus-gpu.sh'' to run Abacus on 1 node, 6 cores, 1 GPU:

<code bash slurm-abaqus-gpu.sh>
#!/bin/bash
#SBATCH --job-name=abaqus_gpu
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=6
#SBATCH --gres=gpu:1
#SBATCH --mem=30G
#SBATCH --time=24:00:00
#SBATCH --partition=gpu
#
# Edit next line
#SBATCH --account=<account> 

echo "$SLURM_JOB_NODELIST"

# Modules required by Abacus (choose one of the following two possibilities)
#module load intel impi cuda abaqus
module load gnu openmpi cuda abaqus

ulimit -s unlimited
ulimit -s

abaqus job=testverita interactive ask_delete=OFF cpus=$SLURM_NTASKS_PER_NODE gpus=1
</code>

==== Job Abaqus MPI with Fortran ==== 
 
Example script ''slurm-abaqus-fort.sh'' to run Abacus on 1 node, 2 cores, 0 GPUs with Fortran subroutine:

<code bash slurm-abaqus-fort.sh>
#!/bin/bash
#SBATCH --job-name=abaqus_fort
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=2
#SBATCH --mem=8G
#SBATCH --time=2-00:00:00
#SBATCH --partition=cpu
#
# Edit next line
#SBATCH --account=<account>

echo "$SLURM_JOB_NODELIST"

# Modules required by Abacus (choose one of the following two possibilities)
module load gnu intel/ps-xe-2017.2 impi/2017.2 abaqus
#module load gnu openmpi abaqus

ulimit -s unlimited
ulimit -s

abaqus \
job="$SLURM_JOB_NAME" \
input=<input_file> \
user=<user_file> \
scratch="$SCRATCH" \
interactive \
ask_delete=OFF \
cpus=$SLURM_NTASKS_PER_NODE
</code>

Submission example (one node, more then one task per node):

<code>
sbatch --account=G_ABAQUS --job-name=MODEL12-01 --partition=bdw --ntasks-per-node=6 --mem=24G slurm-abaqus-fort.sh
</code>

Submission example (one node, one task per node):

<code>
sbatch --account=G_ABAQUS --job-name=MODEL12-02 --partition=vrt --ntasks-per-node=1 --mem=16G slurm-abaqus-fort.sh
</code>

==== Job Abaqus MPI with user subroutine ==== 
 
Example script ''slurm-abaqus-user.sh'' to run Abacus on 1 node, 2 cores, 0 GPUs with user provided subroutine:

<code bash slurm-abaqus-user.sh>
#!/bin/bash
#SBATCH --job-name=abaqus_user
#SBATCH --output=%x.o%j
#SBATCH --error=%x.e%j
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=2
#SBATCH --mem=8G
#SBATCH --time=2-00:00:00
#SBATCH --partition=cpu
#
# Edit next line
#SBATCH --account=<account>

echo "$SLURM_JOB_NODELIST"

# Modules required by Abacus (choose one of the following two possibilities)
module load gnu intel/ps-xe-2017.2 openmpi abaqus
#module load gnu openmpi abaqus

ulimit -s unlimited
ulimit -s

abaqus \
job="$SLURM_JOB_NAME" \
${abaqus_input:+input="$abaqus_input" }\
${abaqus_user:+user="$abaqus_user" }\
scratch="$SCRATCH" \
interactive \
ask_delete=OFF \
cpus=$SLURM_NTASKS_PER_NODE
</code>

Submission example (one node, more then one task per node):

<code>
abaqus_input=MODEL12
abaqus_user=UTIL56
sbatch --account=G_ABAQUS --job-name=${abaqus_input}-03 --partition=cpu --ntasks-per-node=6 --mem=24G abaqus_user.sh
</code>

Submission example (one node, one task per node):

<code>
abaqus_input=MODEL12
abaqus_user=UTIL56
sbatch --account=G_ABAQUS --job-name=${abaqus_input}-04 --partition=vrt --ntasks-per-node=1 --mem=16G abaqus_user.sh
</code>
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