Re: [gmx-users] Make check failed 2018 Gromacs on GPU workstation

2018-09-18 Thread Szilárd Páll
Thanks, that looks like the an issue with the tests not picking the right run configuration for the hardware. Can you please file a report on redmine.gromacs.org. You can make sure that otherwise the tests pass by restricting the testing to e.g. a single GPU using CUDA_VISIBLE_DEVICES=0. -- Szilá

Re: [gmx-users] Make check failed 2018 Gromacs on GPU workstation

2018-09-14 Thread Phuong Tran
Thank you for your quick response. I have no idea why the GPU unit test failed. The workstation was restarted, so nothing was running at the time. We have 1 Quadro 600, and 2 1080Ti on it with CUDA 9.0. Here is the result for the regression test: Reading file topol.tpr, VERSION 2018.3 (single pr

Re: [gmx-users] Make check failed 2018 Gromacs on GPU workstation

2018-09-13 Thread Szilárd Páll
Test timeouts are strange, Is the machine you're running on busy with other jobs? Regarding the regressiontest failure, can you share tests/regressiontests*/complex/octahedron/mdrun.out please? -- Szilárd On Thu, Sep 13, 2018 at 8:49 PM Phuong Tran wrote: > Hi all, > > I have been trying to i

[gmx-users] Make check failed 2018 Gromacs on GPU workstation

2018-09-13 Thread Phuong Tran
Hi all, I have been trying to install Gromacs on our GPU workstation that has CUDA 9.0 It went well but 'make check' have failed so far on either 2018.3 or 2018.2 versions. anybody know how to resolve it? Please see the error below. Thank you, -T Test project /home/user/Softwares/gromacs-2018.3/b