Hello,
Thanks Qinghua. It works like a charm.
Simon
Hello,
The module you loaded for MPI is from MPICH, which was compiled with
intel compiler if I understand correctly, it is not intelmpi.
Maybe you can try to compile with ./configure -mpi intel.
All the best,
Qinghua
On 01/02/2018 07:31 AM, Simon Kit Sang Chu wrote:
> Hi everyone,
>
> I am trying to install AMBER parallel version on a cluster
> where mpi3-icc15-dynamic has already been loaded as module. However, I
fail
> to install it since I am unfamiliar with compilers.
>
> ./configure --skip-python -intelmpi intel
>
> Checking for updates...
>
> Checking for available patches online. This may take a few seconds...
>
> NoInternetAccess: Cannot connect to http://ambermd.org
>
> Check for updates failed.
>
>
>
> AMBER_PREFIX=/HOME/abcd/amber16
>
> AMBER_SOURCE=/HOME/abcd/amber16
>
>
>
> Obtaining the intel compiler suite versions, e.g.:
>
> icc -v
>
> The C version is 15.0.1
>
> The Fortran version is 15.0.1
>
> Cannot find Intel MPI compiler wrappers; Intel MPI must not be
>
> installed or correctly configured
>
> Configure failed due to the errors above!
>
>
> module list
>
> Currently Loaded Modulefiles:
>
> 1) intel-compilers/15.0.1 3) MPI/Intel/MPICH/3.1-icc15-dyn
>
> 2) intel-compilers/mkl-15
>
>
> If I am right, the intel-compilers have already been loaded. Yet, AMBER
> fails to find it. Is there something I miss? Suggestion on the
installation
> and readings on compilers are welcomed.
>
> I appreciate any recommendation.
>
> Thanks,
> Simon
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Received on Tue Jan 02 2018 - 20:00:02 PST
