[gmx-users] Problem with GROMAC 2019.4

[Avi Hundal]

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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