Category Archives: Supercomputer
Software update(ADF,ANSYS,Gaussian16,MATLAB)

Following four softwares were updated.

ADF

Updated from version 2016.101 to 2017.111. Usage is below.

[username@hokusai:~] vi adf.sh
#!/bin/sh
#—— pjsub option ——–#
#PJM -L rscunit=gwacsg
#PJM -L rscgrp=adf
#PJM -L vnode=1
#PJM -L vnode-core=12
#PJM -L elapse=1:00:00
#PJM -g Q99999
#PJM -j
#——- Program execution ——-#
module load adf
$ADFBIN/adf -n 12 input > output

———————————————————————————————

[username@hokusai:~]$ pjsub ansys.sh
[INFO] PJM 0000 pjsub Job 12345 submitted.

ANSYS

Update from version 18.2  to 19.0, and the executing command was changed from ansys182 to ansys190. Usage is below.

[username@hokusai1 ~/ANSYS] module load ansys
[username@hokusai1 ~/ANSYS] ansys190 -g -p preppost

———————————————————————————————

[username@hokusai1 ~] vi ansys.sh
#!/bin/sh
#—— pjsub option ——–#
#PJM -L rscunit=gwacsl
#PJM -L rscgrp=ansys
#PJM -L vnode=1
#PJM -L vnode-core=1
#PJM -L elapse=1:00:00
#PJM -g Q99999
#PJM -j
#——- Program execution ——-#
module load ansys
ansys190 -b nolist -p mpba < ansys_run.txt > file.out

———————————————————————————————

[username@hokusai1 ~]$ pjsub ansys.sh
[INFO] PJM 0000 pjsub Job 12345 submitted.

Gaussian16

Gaussian16 B.01 was installed to bwmpc, gwmpc, gwacsg, gwacsl. Usage is below.

[username@hokusai1 ~] vi g16_mpc_seq.sh
#!/bin/sh
#—— pjsub option ——–#
#PJM -L rscunit=bwmpc
#PJM -L rscgrp=gaussian
#PJM -L vnode-core=1)
#PJM -L elapse=1:00:00
#PJM -g Q18999
#PJM -j
#——- Program execution ——-#
module load gaussian


[username@hokusai1 ~]$ pjsub g16_mpc_seq.sh
[INFO] PJM 0000 pjsub Job 12345 submitted.

MATLAB

Updated from  R2017a to R2018a on gwacsg. Usage is below.

## To use MATLAB on HOKUSAI users have to own MATLAB license in their laboratories in RIKEN.

[username@hokusai1 ~]$ vi matlab.sh
#!/bin/sh
#—— pjsub option ——–#
#PJM -L rscunit=gwacsg
#PJM -L rscgrp=matlab
#PJM -L vnode=1
#PJM -L vnode-core=12
#PJM -L elapse=1:00:00
#PJM -g Q99999
#PJM -j
#——- Program execution ——-#
module load matlab
matlab -nodisplay -r sample


[username@hokusai1 ~]$ pjsub matlab.sh
[INFO] PJM 0000 pjsub Job 12345 submitted.