VASP installation on Fujitsu A64FX platforms

[ivr900]

NCI Australia has some collaboration with Fujitsu Ltd. Japan in part of software porting on Fujitsu platforms. As part of this work, started by Roger Amos (roger_amos1) and continued by me, VASP porting has been done for Fujitsu A64FX platforms. It assumes use of Fujitsu HPC compiler suite (Fujitsu compilers, math. libraries, MPI).

I believe it would be in interest of both the VASP Team and the world-wide community of VASP users, if the VASP distribution hardware support list would be extended.

Could somebody from the VASP Developers Team contact me regarding of this? I would like to pass you files, like makefile.include template and some code patches, with all necessary instructions to incorporate the Fujitsu A64FX support into the current VASP source code distribution.

With best regards,
Ivan Rostov
NCI Australia, Canberra
ivan.rostov@anu.edu.au

[andreas.singraber]

Dear Ivan Rostov,

of course there is great interest in supporting this platform also on our side, thank you for contacting us! I have already forwarded your previous email to Martijn Marsman who is handling the porting to A64FX, he will contact you soon!

All the best,

Andreas Singraber

[ivr900]

Dear Andreas,

thank you for the news. I look forward to be contacted by Martijn Marsman.

With regards,

Ivan

[SKM]

hi
i am trying to install VASP 5.4.4. on Fujitsu platform.
it appears that its installed, and std, gam, nlc binaries are showing up.
but while testing it a trial run. not running just stand still. after few lines in out put and no SCF runs are showing up.

but during installation display , there were lot of messages such as below appearing. not sure if these are the reason for such blank run?

------------
jwd8664o-i "rmm-diis_mlr.f90", line 838: This loop cannot be software pipelined because the loop contains an instruction, such as function call, which is not supported by software pipelining.
jwd6122s-i "rmm-diis_mlr.f90", line 839: SIMD conversion cannot be applied to DO loop: a procedure reference was found in the loop.
jwd8664o-i "rmm-diis_mlr.f90", line 861: This loop cannot be software pipelined because the loop contains an instruction, such as function call, which is not supported by software pipelining.
jwd6122s-i "rmm-diis_mlr.f90", line 862: SIMD conversion cannot be applied to DO loop: a procedure reference was found i....
-------------------

[andreas.singraber]

Hello!

I am sorry but we have never tested VASP 5 on the Fujitsu A64FX platform and do not support this combination. The first release supporting this hardware was VASP 6.3.1.
Btw, please always open a new topic even if there is a similar one, it simplifies the forum administration for us, thank you!

Best,
Andreas Singraber