Re: [AMBER] Parallel compilation of AmberTools1.5 failed

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 15 Jun 2011 02:09:53 -0700

Dear Xioling,

A couple of questions.

1) Did you do a make clean before running the parallel compilation?

2) Are you certain your mpi installation was built for the same version of
the compiler you are currently using?

I.e. does mpicc -showme imply that icc is the compiler to be used?

Are you certain this mpi installation was configured and built with the same
version of the ifort compiler you are using?

All the best
Ross

> -----Original Message-----
> From: Xioling Chuang [mailto:xioling_c.hotmail.com]
> Sent: Tuesday, June 14, 2011 10:56 PM
> To: amber mailing list
> Subject: Re: [AMBER] Parallel compilation of AmberTools1.5 failed
>
>
> Dear Jason,
> Installation failed at another step, see message below. Any suggestion
> please.
> Xioling
> ===============...mpicc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> -DBINTRAJ -DMPI -o clusterLib.o clusterLib.cmpicc -
> D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI \
> -o ptraj.MPI main.o rdparm.o dispatch.o help.o utility.o second.o io.o
> trajectory.o netcdf_ptraj.o parallel_ptraj.o evec.o torsion.o mask.o
> rms.o display.o interface.o energy.o experimental.o ptraj.o actions.o
> analyze.o thermo.o pubfft.o cluster.o clusterLib.o
> /softwares/amber11/lib/libpdb.a /softwares/amber11/lib/arpack.a
> /softwares/amber11/lib/lapack.a /softwares/amber11/lib/blas.a -
> L/softwares/intel/fc/10.1.015/lib/ -lifport -lifcore -lsvml
> /softwares/amber11/lib/libpnetcdf.a -
> lm/softwares/intel/fc/10.1.015/lib//libifcore.so.5: undefined reference
> to `dlsym'collect2: ld returned 1 exit statusmake[1]: *** [ptraj.MPI]
> Error 1make[1]: Leaving directory
> `/softwares/amber11/AmberTools/src/ptraj'make: *** [parallel] Error 2
> ===============
> >
> > Get rid of the -axSTPW and -ip from your config.h file and retry.
> >
> > HTH,
> > Jason
> >
>
>
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Received on Wed Jun 15 2011 - 02:30:03 PDT
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