Re: [gmx-users] install and mdrun problems

2020-03-04 Thread Kunal Dutta
.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Kunal > Dutta > *Sent:* Monday, March 2, 2020 8:56 AM > *To:* gmx-us...@gromacs.org > *Cc:* gromacs.org_gmx-users@maillist.sys.kth.se < > gromacs.org_gmx-users@maillist.sys.kth.se> > *Subject:* Re: [gmx-users

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Timofey Tyugashev
Have you tried running stress test benchmarks for CPU and GPU? Or just looking up any similar issues reported by other users of your MB and CPU models? Sudden shutdowns at high load are generally caused by power or cooling failure. Or both, like CPU or GPU VRMs overheating, since they're

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Bogdanov, Vladimir
@maillist.sys.kth.se Subject: Re: [gmx-users] install and mdrun problems Hello Sir, May I know the detailed configuration of your system. Sincerely, Kunal On Mon, 2 Mar 2020 at 09:08, Bogdanov, Vladimir wrote: > Hi all, > > I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440.59,

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Bogdanov, Vladimir
:14 AM To: GROMACS users Subject: Re: [gmx-users] install and mdrun problems Sounds bit like it may be overheating. Are all ventilation fans fully operational? On Mon, 2 Mar. 2020, 2:38 pm Bogdanov, Vladimir, wrote: > Hi all, > > I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Paul bauer
Hello, If you try an updated version, please try an actually recent one, either 2019.6 or the 2020 release. If you could provide us with some error or log messages we might be able to find out what happened there. Cheers Paul On 02/03/2020 16:03, Kamran Gul, M.Phil. Scholar, Institute of

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Kamran Gul, M.Phil. Scholar, Institute of Chemical Sciences, UoP
Try gromacs 2019.2. And then update your cuda and nvidia. On Mon, 2 Mar 2020, 6:58 p.m. Kunal Dutta, wrote: > Hello Sir, > May I know the detailed configuration of your system. > Sincerely, > Kunal > > > > > On Mon, 2 Mar 2020 at 09:08, Bogdanov, Vladimir > wrote: > > > Hi all, > > > > I

Re: [gmx-users] install and mdrun problems

2020-03-02 Thread Kunal Dutta
Hello Sir, May I know the detailed configuration of your system. Sincerely, Kunal On Mon, 2 Mar 2020 at 09:08, Bogdanov, Vladimir wrote: > Hi all, > > I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440.59, CUDA 10.2), but > when I did make check, my PC turned off. I also tried to install

Re: [gmx-users] install and mdrun problems

2020-03-01 Thread Dallas Warren
Sounds bit like it may be overheating. Are all ventilation fans fully operational? On Mon, 2 Mar. 2020, 2:38 pm Bogdanov, Vladimir, wrote: > Hi all, > > I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440.59, CUDA 10.2), but > when I did make check, my PC turned off. I also tried to install

[gmx-users] install and mdrun problems

2020-03-01 Thread Bogdanov, Vladimir
Hi all, I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440.59, CUDA 10.2), but when I did make check, my PC turned off. I also tried to install Gromacs2018.2, Gromacs2018.6 and I have got the same problem. When I tried to do mdrun, my PC also shut down. I also tried the following