Thank you Dan.
It works
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On Thu, Feb 8, 2018 at 5:33 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Wed, Feb 7, 2018 at 3:43 AM, Tasneem Kausar
> <tasneemkausar12.gmail.com> wrote:
> >
> > for MPI support I have installed mpich-3.1.4 and fftw-3.3.7
> > mpicpi-3.14 is installed in /home/myname/amber16/mpich-install
> directory
> > and fftw-3.3.7 is installed in /home/myname/amber16/mpich-install
> > directory
> >
> > /home/apps/ics/impi/4.1.3.049/intel64/lib/libmpigf.so: undefined
> reference
> > to `MPID_b_use_gettimeofday'
>
> You say you've installed mpich 3.1.4, but the error message indicates
> you're pulling in a library from Intel MPI, which indicates your
> environment is not correctly set up. If you don't have a lot of
> experience with that I'd recommend that you install mpich by
> downloading and unpacking the source code in $AMBERHOME/AmberTools/src
> and running 'configure_mpich' there, then run $AMBERHOME/configure as
> usual and use the fftw that Amber builds. Don't forget to source
> $AMBERHOME/amber.sh before doing 'make install'.
>
> Hope this helps,
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
> _______________________________________________
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>
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Received on Fri Feb 09 2018 - 02:30:03 PST
