[gmx-users] Problem with GROMAC 2019.4

[Christian Blau]

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