[gmx-users] Incomplete compiling Gromacs 5.1

Szilárd Páll pall.szilard at gmail.com
Fri Oct 30 14:09:44 CET 2015


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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