| Re: How to compile OpenMX on Cray programming Environment ( No.1 )|
- Date: 2023/10/29 14:53
- Name: T. Ozaki
According the manual of Aspire 2a (Sec. 6.2), the Intel Environment seems to be available:
I wonder that it might work for OpenMX. Did you try it?
We have successfully installed OpenMX on AMD EPYC machines including
Ohtaka at ISSP: https://mdcl.issp.u-tokyo.ac.jp/scc/system/systembinfo
Kagayaki at JAIST: https://www.jaist.ac.jp/iscenter/en/mpc/kagayaki/
| Re: How to compile OpenMX on Cray programming Environment ( No.2 )|
- Date: 2023/10/30 18:46
- Name: Peter <email@example.com>
- HI, Mr Ozaki,
So happy to receive your attention.
Yes, Intel environment is available.
But the problem is: their intel environment does not include MPI, which means that I cannot use the "mpiicc" command step in the compilation step.
Of course, I can still get the Intel oneapi installation path and source the "setvar.sh" to get the intel mpiicc ready for use, and successfully compile openMX. But the resulting problem is I cannot run the compiled openMX using intel MPI because the firewall blocks it.
I cannot use the officially supported cray-MPICH to run my openMX compiled by intel MPI either.
Here is the reply from their officer: "The mpiicc cannot be used, for the cray-mpich is the only official supported MPICH of the cray hpc cluster, (aspire 2a). Of course, you can compile the codes with other MPICH, and take the risk by yourself."
I think my problem is not caused by AMD CPU but by the Cray Programming Environment.
Thanks for your help!
| Re: How to compile OpenMX on Cray programming Environment ( No.3 )|
- Date: 2023/10/30 21:54
- Name: T. Ozaki
My last experience in using Cray machine is Cray-XC40 which might be a very old machine compared to aspire 2,
and how I compiled OpenMX on Cray-XC40 can be found in makefile.
Since I do not have an account on recent Cray machines, it might be difficult for me to help you.
I wonder that someone using OpenMX has an experience in using recent Cray machines.