[gmx-users] Problem with GROMAC 2019.4

[Paul Buscemi]

Are you up And running?

PB

> On Dec 8, 2019, at 12:46 AM, Avi Hundal <havneel at gmail.com> wrote:
> 
> Hey Paul,
> 
> Thanks for looking out.  I found that out the hard way, I have gcc 8.0
> installed and configured it with '-config gcc'.
> 
> Regards,
> 
> Avneel S. Hundal
> 
> Email: havneel at gmail.com
> 
> 
>> On Sat, Dec 7, 2019 at 6:39 PM Paul Buscemi <pbuscemi at q.com> wrote:
>> 
>> A shot in the dark. Cuda may not work with latest version of gcc. There is
>> lit on this issue   Try the repository version for cuda toolbox
>> 
>> PB
>> 
>>> On Dec 4, 2019, at 4:25 AM, Christian Blau <blau at kth.se> wrote:
>>> 
>>> HI Avneel,
>>> 
>>> 
>>> In general, using the latest stable version is always the first thing to
>> recommend, because this is where your issue might have already been fixed.
>>> 
>>> 
>>> Do you also get the same "unsafe srcdir value" when running make? It'd
>> be interesting to know what system you are using.
>>> 
>>> 
>>> I assume you tried a bunch of things already in the past two weeks, but
>> on the chance that  you did not already you might try:
>>> 
>>>  - try building in a directory with no whitespaces or other special
>> characters in the directory name (usually should not be an issue, but
>> "unsafe srcdir value" hints at this)
>>> 
>>>  - using ninja as a build system (use cmake -GNinja , then type ninja
>> instead of make)
>>> 
>>>  - trying different fft libraries (fftw, mkl, fftpack)
>>> 
>>> 
>>> Also, it'd be great to hear back to know what solved the issue.
>>> 
>>> 
>>> Best,
>>> 
>>> Christian
>>> 
>>>> On 2019-12-04 08:42, Avi Hundal wrote:
>>>> Hi all,
>>>> 
>>>> I've been trying to get GROMAC 2019.4 to work on my computer with GPU
>>>> acceleration for over 2 weeks, without success and without trying to
>> bother
>>>> you all here.  Scouring the archives, someone else had the same exact
>> issue
>>>> I have (
>>>> 
>> https://www.mail-archive.com/gromacs.org_gmx-users@maillist.sys.kth.se/msg33675.html
>>>> ).
>>>> 
>>>> The problem occurs after entering "make".  I haven't been able to find a
>>>> solution, and the person who previously had this problem was suggested
>> to
>>>> upgrade to the newest stable version at that time.  Any suggestions?
>> Thank
>>>> you!
>>>> 
>>>> Regards,
>>>> 
>>>> Avneel S. Hundal
>>>> 
>>>> Email: havneel at gmail.com
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