[gmx-users] install and mdrun problems

[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 Chemical 
Sciences, UoP wrote:
> Try gromacs 2019.2.
> And then update your cuda and nvidia.
>
> On Mon, 2 Mar 2020, 6:58 p.m. Kunal Dutta, <mamapcr at gmail.com> wrote:
>
>> Hello Sir,
>> May I know the detailed configuration of your system.
>> Sincerely,
>> Kunal
>>
>>
>>
>>
>> On Mon, 2 Mar 2020 at 09:08, Bogdanov, Vladimir <bogdanov.7 at osu.edu>
>> 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
>>> 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
>> combination:
>>> nvidia-smi 440.59, CUDA 9.2.
>>>
>>> Any ideas would be helpful.
>>>
>>> Thanks,
>>> Vlad
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-- 
Paul Bauer, PhD
GROMACS Development Manager
KTH Stockholm, SciLifeLab
0046737308594