Dear Jason,
Thank you for your advice.
"mpicc -show" return "icc".
We remove the frags and succeeded in compiling.
-----Original Message-----
From: Jason Swails [mailto:jason.swails.gmail.com]
Sent: Wednesday, September 28, 2011 12:40 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Parallel compile error of Amber11
What does "mpicc -show" return? If it's not showing that it's using icc,
then you need to recompile your MPI to use icc as CC, icpc as CXX, and ifort
as F77 and FC.
If it is using icc, then just remove the flags that the building process is
complaining about from your config.h file.
HTH,
Jason
On Tue, Sep 27, 2011 at 11:30 PM, kurisaki <
kurisaki.ncube.human.nagoya-u.ac.jp> wrote:
> Dear Amber users and developers,
>
>
>
> I am trying to install Amber11 for parallel calculation,
>
> But I encountered following error message in install process.
>
>
>
> dsarpack.f(615): (col. 17) remark: LOOP WAS VECTORIZED.
>
> mpicc -c -ip -O3 -axSTPW -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DMPI
> -I/home/kurisaki/mpich2-install/include -o wallclock.o wallclock.c
>
> cc1: error: unrecognized command line option "-ip"
>
> cc1: error: unrecognized command line option "-axSTPW"
>
> make[2]: *** [wallclock.o] Error 1
>
> make[2]: Leaving directory
> `/home/kurisaki/amber/amber11_IK_ifort_Parallel/AmberTools/src/arpack'
>
> make[1]: *** [netlib] Error 2
>
> make[1]: Leaving directory
> `/home/kurisaki/amber/amber11_IK_ifort_Parallel/src/sander'
>
> make: *** [parallel] Error 2
>
>
>
>
>
> Error message suggests mpicc cannot recognize some frags and
>
> This subroutine would be needed to treat eigen value problem.
>
> Does any problems arise if we skip the compiling dsarpack.f?
>
>
>
> I am most grateful if you tell me resolution to finish compile.
>
>
>
> Ikuo Kurisaki
>
>
>
> PS
>
> We use Intel compiler and MPICH2 here.
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Sep 27 2011 - 23:30:03 PDT
