Hi Javier, You might wish to be aware that up to v2.9.0 we had a couple more goolfc GROMACS builds: https://github.com/easybuilders/easybuild-easyconfigs/tree/easybuild-easyconfigs-v2.9.0/easybuild/easyconfigs/g/GROMACS (ah, those memorable hackathons in Cyprus, we were doing really cool stuff back then :)
These .EBs probably one more case you may use as a base point, before upgrading to more recent versions. Of course, using a more recent PR is likely an even better choice. I would certainly run at least one build over the GPU nodes, as means to cross-check performance aspects. If you do the build on a generic node, nvcc has the feature that it might opt for portability than performance. F. On Jul 12, 2017, at 9:22 PM, Javier Antonio Ruiz Bosch <jrbo...@uclv.cu> wrote: > Hi, easybuilders. > > My HPC has a GPU node that consists of 2 Nvidia K80 GPU cards. I recently > need to install GROMACS to run it on that GPU node. I searched a few days ago > and I did not found easyconfig of GROMACS for GPU so I prepared one using the > toolchain foss and as a dependency I added cuda. Four days ago, akesandgren > (github) added an easyconfig of GROMACS for GPU using the toolchain goolfc, > so can I also install it using that easyconfig perhaps making some changes to > the. patch file because my nvidia libraries are in user/lib64/nvidia not in > user/lib/nvidia-367 not in user/lib/nvidia-375? > > If at the time of starting the installation with easybuild should I do it > from the server master or from the GPU node so the installation process can > detects the GPU cards and use their drivers and library that are only in this > GPU node. Or there is another way to do it. > > Another question is how can I see the outputs of the cmake at the > configuration step even when all is fine, it is only written to the log when > the installation fails, in case it doesn’t fail this output is not written to > the log. > > Regards. > Javier. cheers, Fotis -- echo "sysadmin know better bash than english" | sed s/min/mins/ \ | sed 's/better bash/bash better/' # signal detected in a CERN forum
