[gmx-users] Problem with GROMAC 2019.4

[Paul Buscemi]

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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