[gmx-users] Incomplete compiling Gromacs 5.1

Chunlei ZHANG chunleizhang.pku at gmail.com
Sat Oct 31 02:56:55 CET 2015


Got it!
Thank you a lot!


2015-10-30 21:09 GMT+08:00 Szilárd Páll <pall.szilard at gmail.com>:

> On Thu, Oct 29, 2015 at 5:16 AM, Chunlei ZHANG <chunleizhang.pku at gmail.com
> >
> wrote:
>
> > Dear All,
> > I was trying to compiling Gromscs 5.1 on a cluster with with two 10-core
> > Intel Xeon E5-2600 v3(Haswell)  on each node.
> > The command with cmake:
> > cmake .. -DCMAKE_C_COMPILER=mpiicc \
> > -DCMAKE_CXX_COMPILER=mpiicpc \
> > -DGMX_MPI=on -DGMX_OPENMP=on \
> > -DGMX_GPU=off \
> > -DGMX_SIMD=AVX2_256 \
> > -DGMX_DOUBLE=off \
> > -DCMAKE_INSTALL_PREFIX=/my/path/GMX5.1 \
> > -DBUILD_SHARED_LIBS=off \
> > -DGMX_FFT_LIBRARY=MKL
> >
> > Then, I execute make, but received the following message:
> > "make[2]: warning:  Clock skew detected.  Your build may be incomplete."
> >
>
> If that's what you wanted fixed, have your admins sync the time between the
> compute and files servers.
>
> Cheers,
> --
> Szilárd
>
>
> > Then, make install:
> > In the bin folder, I only found these executables:
> > demux.pl  gmx-completion.bash  gmx-completion-gmx_mpi.bash  gmx_mpi
> GMXRC
> >  GMXRC.bash  GMXRC.csh  GMXRC.zsh  xplor2gmx.pl
> >
> > Could anyone suggest possible solution to this?
> > Thanks in advance!
> > Best regards,
> > Chunlei
> > --
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