Re: [gmx-users] Problem with cuda toolkit

Hi, If that was your cmake command, then CUDA_TOOLKIT_ROOT_DIR would not have that value, and things should have just worked with nvcc where you report it is located. But using cmake -DCUDA_TOOLKIT_ROOT_DIR=/usr will let normal path searching find that nvcc is in the bin directory. Distributions

[gmx-users] Problem with cuda toolkit

Hi Dears Gromacs Developers and users I want to install gromacs in Fedora core 25. My Computer Specifications are as follows: (base) [sn@localhost ~]$ which nvcc /usr/bin/nvcc (base) [sn@localhost ~]$ nvcc --version nvcc: NVIDIA (R) Cuda compiler driver Copyright (c) 2005-2016 NVIDIA

Re: [gmx-users] Problem with CUDA

list for GROMACS users <gmx-us...@gromacs.org> Cc: gromacs.org_gmx-users@maillist.sys.kth.se Subject: Re: [gmx-users] Problem with CUDA Sorry, forgot to mention that for dynamic linking you (might?) need export CRAYPE_LINK_TYPE=dynamic -- Szilárd On Sat, Apr 7, 2018 at 12:09 AM, Bo

Re: [gmx-users] Problem with CUDA

ject; recompile with -fPIC > > Chris > > -Original Message- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf > Of Szilárd Páll > Sent: Friday, April 06, 2018 12:05 PM > To: Discussion list for G

Re: [gmx-users] Problem with CUDA

> Chris > > -Original Message- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of > Szilárd Páll > Sent: Friday, April 06, 2018 12:05 PM > To: Discussion list for GROMACS users <gmx-us...@gromacs.org&g

Re: [gmx-users] Problem with CUDA

-users@maillist.sys.kth.se Subject: Re: [gmx-users] Problem with CUDA FYI: not even a my vanilla (non-CRAY) local build which does work otherwise succeeds with cmake . -DCUDA_NVCC_FLAGS:STRING="-rdc=true" so as I guessed, that's the culprit. Out of curiosity I wonder: what's the reason for the

Re: [gmx-users] Problem with CUDA

dBinary_67_tmpxft_9f4e__21_nbnxn_cuda_data_mgmt_compute_61_cpp1_ii_a1eafeba' >> >> Chris >> >> -Original Message- >> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se >> [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se]

Re: [gmx-users] Problem with CUDA

pp1_ii_a1eafeba' > > Chris > > -Original Message- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of > Szilárd Páll > Sent: Friday, April 06, 2018 10:17 AM > To: Discussion list for GROM

Re: [gmx-users] Problem with CUDA

cs.org_gmx-users@maillist.sys.kth.se Subject: Re: [gmx-users] Problem with CUDA Hi, What is the reason for using the custom CMake options? What's the -rdc=true for -- I don't think it's needed and it can very well be causing the issue. Have you tried to actually do an as-vanilla-as-possible bu

Re: [gmx-users] Problem with CUDA

Hi, What is the reason for using the custom CMake options? What's the -rdc=true for -- I don't think it's needed and it can very well be causing the issue. Have you tried to actually do an as-vanilla-as-possible build? -- Szilárd On Thu, Apr 5, 2018 at 6:52 PM, Borchert, Christopher B

[gmx-users] Problem with CUDA

Hello. I'm taking a working build from a co-worker and trying to add GPU support on a Cray XC. CMake works but make fails. Both 2016 and 2018 die at the same point -- can't find gromac's own routines. 2016.5: /opt/cray/pe/craype/2.5.13/bin/CC-march=core-avx2 -O2 -fPIC -dynamic -std=c++0x