Just a quick installation note. I was able to get vasp_gpu running for an older GPU card. The card has just 256 cores and 2GB of memory, but initial tests show some promise.
A changed to the GENCODE_ARCH parameter in the makefile.include was required:
GENCODE_ARCH := -gencode=arch=compute_30,code=\"sm_30,compute_30\" -gencode=arch=compute_35,code=\"sm_35,compute_35\" -gencode=arch=compute_20,code=\"sm_20,compute_20\"
Using CUDA Toolkit 8.0 and Intel Fortran compilers.
Calculations are gpu memory intensive. 2GB fills up quickly. I'm not able to use all 8 cores in my machine because each process spun off by MPI needs ~500 MB of memory on the gpu.
Paul
vasp_gpu compiled for Quadro 4000, CUDA 2.0
Moderators: Global Moderator, Moderator
-
Paranord
- Newbie
- Posts: 3
- Joined: Mon Feb 06, 2017 4:24 am
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Re: vasp_gpu compiled for Quadro 4000, CUDA 2.0
please have a look at the vasp-wiki page dealing with GPU-related issues:
http://cms.mpi.univie.ac.at/wiki/index. ... rt_of_VASP
and contact the one of colleagues who developed the GPU-version of VASP
(the list is given in the People section of that site)
http://cms.mpi.univie.ac.at/wiki/index. ... rt_of_VASP
and contact the one of colleagues who developed the GPU-version of VASP
(the list is given in the People section of that site)