Differences

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--- doku:mathematica [2015/05/13 08:04] – [SLURM] ir
+++ doku:mathematica [2022/09/20 13:41] (current) – [SLURM] groda
@@ Line 1: / Line 1: @@
 ======= Mathematica Batch Jobs =======
-===== VSC-2 =====
-==== Sun Grid Engine ====
-The simplest way is to create a file with your mathematica commands, e.g. 'math-input.m', and just input that in the batch file.
-<code>
-# the following option makes sure the job will run in the current directory
-#$ -cwd
-# this option makes sure the job has the same environment variables as the submission shell
-#$ -V
-MATHDIR=/opt/sw/Mathematica/90/bin
+=== SLURM ===
-$MATHDIR/math < math-input.m
-</code>
+In order to be able to use Mathematica, you need to load the program with the ''module load'' command
-If we name the above file as math-job.sh and place it in the same directory as math-input.m we can submit it from the same directory with
 <code>
-user@l01 $ qsub math-job.sh
+[username@l32]$ module load Mathematica    # load the default Mathematica module
+[username@l32]$ module list                # check loaded modules
+Currently Loaded Modulefiles:
+  [...]
+) Mathematica/12.3.1
 </code>
-The output will be left in file ''math-job.sh.o$JOB_ID'' and any errors in ''math-job.e$JOB_ID''.
+(See also the introduction to the [[https://wiki.vsc.ac.at/doku.php?id=doku:slurm|module command.]])
+Now, Mathematica can be called by
-You could also incorporate mathematica commands in the job file itself, rather then have them in a separate file:
 <code>
-#$ -cwd
+[username@l32]$ math
-#$ -V
-MATHDIR=/opt/sw/Mathematica/90/bin
-$MATHDIR/math <<END_MATH_COMMANDS
-+1
-*3
-END_MATH_COMMANDS
 </code>
-The above notations means that everything between "<<END_MATH_COMMANDS" and "END_MATH_COMMANDS" will be used as math program's input. You can again submit this job with qsub.
+==== Example: Parallel Mathematica Task ====
-==== Parallel Usage ====
+Mathematica script example ''math-vsc3.m'':
-Jobscript:
 <code>
-#$ -N parallel
-#$ -q all.q
-#$ -pe mpich 32
+GetEnvironment["MATH_BIN"]
+math = Environment["MATH_BIN"]
+kernelsperhost = 16
+hosts=Import["nodelist","List"];
-#learn how to read in this file into mathematica directly
-cp -v $TMPDIR/machines machines_tmp
-/opt/sw/Mathematica/90/bin/math -run "<<math.m"
-</code>
-Mathematica script named ''math.m'':
-<code>
-(* configuration for starting remote kernels *)
 Needs["SubKernels`RemoteKernels`"]
-$RemoteCommand= "ssh `1` -n -l `3` \"/opt/sw/Mathematica/90/bin/math -mathlink -linkmode Connect `4` -linkname `2` -subkernel -noinit >& /dev/null &\""
+$RemoteCommand = "ssh -x -f -l `3` `1` " <> math <> " -mathlink -linkmode Connect `4` -linkname '`2`' -subkernel -noinit"
-(* initialize the kernels on all machines defined in the host file *)
+(* first host with one kernel less *)
+LaunchKernels[RemoteMachine[hosts[[1]], kernelsperhost-1]];
-hosts=Import["machines_tmp","List"]
-(* on the master node initialize only one kernel less, since one is already running *)
 imin=2;
 imax=Length[hosts];
 idelta=1;
 Do[
-	Print["starting Kernel: ",i," on ",hosts[[i]]];
+        LaunchKernels[RemoteMachine[hosts[[i]], kernelsperhost]];
-	LaunchKernels[RemoteMachine[hosts[[i]]]];,
+        , {i, imin, imax, idelta}]
-	{i,imin,imax,idelta}
-]
-(* actual calculation *)
 primelist = ParallelTable[Prime[k], {k, 1, 20000000}];
 Print[primelist]
 </code>
+sbatch job script
+''jobPar.sh'':
+<code>
+#!/bin/bash
+#
+#SBATCH -J par
+#SBATCH -N 2
+#SBATCH -L mathematica@vsc
-===== VSC-3 =====
-=== SLURM ===
+module purge
-In order to be able to use Mathematica, you have to load the program with the 'module load xyz' command
+module load Mathematica/10.0.2 # load desired version
-<code>
-[username@l32]$ module avail  # select a Mathematica version
-[username@l32]$ module load Mathematica/10.0.2 # load selected version
+export MATH_BIN=`which math`
-[username@l32]$ module list   # check loaded modules
+#export MATH_PROC=16
-Currently Loaded Modulefiles:
+scontrol show hostnames $SLURM_NODELIST > nodelist
-) Mathematica/10.0.2
+#execute prolog for getting access to license everywhere
+srun hostname
+math -run < math-vsc3.m
 </code>
-(See also the introduction to the [[https://wiki.vsc.ac.at/doku.php?id=doku:slurm|module command.]])
-Now, Mathematica can be called by
 <code>
-[username@l32]$ math
+[username@l32]$ sbatch jobPar.sh      # submit your job
+[username@l32]$ squeue -u username    # check state of your job
 </code>
-==== Example: Parallel Mathematica Task ====
+==== remote kernel connection ====
+The setup follows
+[[https://cc-mathematik.univie.ac.at/services/vsc3-cluster/remote-mathematica-kernel/|Local mathematica with remote kernel]]
+with the
-Using the same Mathematica script example ''math.m'' as used for for VSC-2, we use create a job script called ''jobPar.sh'':
+**Shell command to launch kernel:**
+for VSC3+
 <code>
-#!/bin/bash
+/Users/<LOCAL-USERNAME>/Library/tunnel.sh <VSC-USERNAME>@localhost:9998 /opt/sw/x86_64/generic/Mathematica/11.3/bin/math `linkname`
-#
-#SBATCH -J par                      # job name
-#SBATCH -N 2                        # number of nodes=2
-#SBATCH --ntasks-per-node=16        # uses all cpus of one node
-#SBATCH --ntasks-per-core=1
-#SBATCH --threads-per-core=1
-math -run "<<math.m"
 </code>
+for VSC4
 <code>
-[username@l32]$ sbatch jobPar.sh      # submit your job
+/Users/<LOCAL-USERNAME>/Library/tunnel.sh <VSC-USERNAME>@localhost:9998 /opt/sw/vsc4/VSC/x86_64/generic/Mathematica/12.3.1/bin/math `linkname`
-[username@l32]$ squeue -u username    # check state of your job
 </code>
+Note that on VSC4, the salloc command [as described on the
+cc-mathematik.univie.ac.at web link] does not need the Mathematica
+license. Just leave the -L parameter away.