vasp_gpu compiled for Quadro 4000, CUDA 2.0

Questions regarding compilation of VASP on various platforms.

Moderators: Global Moderator, Moderator

Post Reply
Posts: 3
Joined: Mon Feb 06, 2017 4:24 am

vasp_gpu compiled for Quadro 4000, CUDA 2.0

#1 Post by Paranord » Thu Feb 09, 2017 12:53 am

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.


Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

Re: vasp_gpu compiled for Quadro 4000, CUDA 2.0

#2 Post by admin » Wed Jul 18, 2018 9:57 am

please have a look at the vasp-wiki page dealing with GPU-related issues: ... 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)

Post Reply