hi
You will have to look at the diff and log files to know what the errors are.
Best Regards
On Thu, 15 Aug 2019 at 20:16, Roy Ashworth <roy.ashworth.bristol.ac.uk>
wrote:
> Thanks, that seemed to work. However after running 'make install' I am
> getting possible errors reported by tests.
> Looking through the log files it looks like many of the comparison
> failed/errors may not be a problem but I am not in a position to know.
> Is it possible that the level of failed/errors that I an getting is OK or
> does it clearly indicate a problem?
> Roy
>
> After export DO_PARALLEL="mpirun -np 2", and make test, the summary output
> is
>
> 988 file comparisons passed
> 47 file comparisons failed (0 ignored)
> 80 tests experienced errors
> Test log file saved as
> /share/apps/amber/amber18/logs/test_at_parallel/2019-08-15_12-44-10.log
> Test diffs file saved as
> /share/apps/amber/amber18/logs/test_at_parallel/2019-08-15_12-44-10.diff
>
> After export DO_PARALLEL="mpirun -np 8", and make test, the summary output
> is
>
> 948 file comparisons passed
> 110 file comparisons failed (0 ignored)
> 56 tests experienced errors
> Test log file saved as
> /share/apps/amber/amber18/logs/test_at_parallel/2019-08-15_13-50-09.log
> Test diffs file saved as
> /share/apps/amber/amber18/logs/test_at_parallel/2019-08-15_13-50-09.diff
>
>
> -----Original Message-----
> From: Elvis Martis <elvis_bcp.elvismartis.in>
> Sent: 15 August 2019 12:09
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: Re: [AMBER] Installing Amber parallel option
>
> HI
> Please use the same compiler as your serial compilation, I assume gnu.
> This should be your command >> ./configure -mpi gnu Best Regards
>
>
>
> On Thu, 15 Aug 2019 at 16:33, Roy Ashworth <roy.ashworth.bristol.ac.uk>
> wrote:
>
> > I am installing Amber for the first time and have encountered a
> > problem (as root on a Linux system, Centos 6.2). The serial
> > installation appears to have worked successfully but a problem arises
> > with installing the parallel version.
> > I have copied the commands and output below and would appreciate any
> > assistance.
> > Roy
> >
> >
> > # source /share/apps/amber/amber18/amber.sh
> > # cd $AMBERHOME
> >
> > # ./configure -mpi mpicc
> > Checking for updates...
> > Checking for available patches online. This may take a few seconds...
> >
> > Available AmberTools 19 patches:
> >
> > No patches available
> >
> > Available Amber 18 patches:
> >
> > No patches available
> >
> >
> > AMBER_PREFIX=/share/apps/amber/amber18
> > AMBER_SOURCE=/share/apps/amber/amber18
> >
> > Using the AmberTools miniconda installation in
> > /share/apps/amber/amber18/miniconda
> > version 2.7.16
> > Error: Architecture/compiler 'mpicc' is not supported!
> > Usage: ./configure [flags] compiler
> > Type './configure -help' for more details.
> > Configure failed due to the errors above!
> >
> >
> > # yum install openmpi
> > Setting up Install Process
> > Package openmpi-1.5.3-3.el6.x86_64 is obsoleted by
> > openmpi-1.5.4-1.5.4-5.el6.x86_64 which is already installed Nothing to
> > do
> >
> > # which mpicc
> > /opt/openmpi/bin/mpicc
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Thu Aug 15 2019 - 08:00:02 PDT
