Tag Archives: HOKUSAI

Software update(ANSYS, Amber, Intel Compilers)

Following three software packages were updated.

ANSYS

Updated from version 19.0 to 19.2. The executing command was changed ansys190 to ansys192.

Please refer to the portal about how to use ANSYS  (https://hokusai.riken.jp).

Amber

Updated from version 16 to  18.

Please refer to the portal about how to use AMBER (https://hokusai.riken.jp).

Intel Compilers

Parallel Studio XE 2018 Update3 was installed.

■System: bwmpc, gwacsg, gwacsl

■Please refet to the following release note to get more information.

https://software.intel.com/sites/default/files/managed/b5/ab/IPSXE_2018_Update_3_Release_Notes_JA.pdf

https://software.intel.com/sites/default/files/managed/d6/99/IPSXE_2018_Update_3_Release_Notes.pdf

Manuals of Intel compilers are available on the portal (https://hokusai.riken.jp).

[Documents]
-> [Application Computing Server(Intel Parallel Studio XE Composer Edition 2018)]
  -> [C++ Compiler and libraries]
  -> [Fortran Compiler and libraries]
  -> [Intel MPI]

How to compile.

Non parallel job
[username@hokusai1 ~]$ module load intel
[username@hokusai1 ~]$ icc test.c

Parallel job (MPI)
[username@hokusai1 ~]$ module load intel
[username@hokusai1 ~]$ mpiicc test.c

If you have any questions, please contact hpc@riken.jp.

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.