[gmx-users] Problem with GROMAC 2019.4

[Avi Hundal]

Hi Christian,

Thank you so much for getting back to me!  To answer your question, yes, I
did receive the same "unsafe scrsdir value" after running 'make'.

It's embarrassing to say, but your first assumption was correct.  The
initial file I tried building in had spaces in the directory name.  Upon
creating a new directory (without whitespaces/special characters), and
reinstalling FFTW & Cmake + Gromacs led to a successful installation!  I
apologize for taking up your time, but hopefully this will be useful for
any other 'newbies'.

Warm Regards,

Avneel S. Hundal

Email: havneel at gmail.com


On Wed, Dec 4, 2019 at 1:26 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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