[gmx-users] Problem with GROMAC 2019.4

[Avi Hundal]

Hi Paul,

Yes sir, I am up and running.  Thank you all!

Regards,

Avneel S. Hundal

Email: havneel at gmail.com


On Sun, Dec 8, 2019 at 3:48 AM Paul Buscemi <pbuscemi at q.com> wrote:

> 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
> >>> --
> >>> Gromacs Users mailing list
> >>>
> >>> * Please search the archive at
> >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> >> posting!
> >>>
> >>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >>>
> >>> * For (un)subscribe requests visit
> >>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> >> send a mail to gmx-users-request at gromacs.org.
> >>
> >> --
> >> Gromacs Users mailing list
> >>
> >> * Please search the archive at
> >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> >> posting!
> >>
> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >>
> >> * For (un)subscribe requests visit
> >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> >> send a mail to gmx-users-request at gromacs.org.
> >>
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>