[mpich-discuss] compiling MPICH2 with intel compilers

[Vlad Cojocaru]

Dear MPICH2 users,

I am trying to build a parallel version of AMBER10 (a molecular dynamics 
package) with MPICH2.
I downloaded the mpich2 from your site, I compiled it with the intel 
compiler suite 10.1. Apparently everything went smoothly (the tests from 
the mpich2 installation guide were correctly executed). However after I 
successfully compiled AMBER10 I tried to run the tests and I got the 
error below which obviously comes from the mpich2 build. I used the 
correct mpiexec script when executing my application, and apparently I 
have to interference from a pre-installed mpich.

Looking back at the configuration logfile from the mpich2 compilation 
(see attached) I noticed some errors. Could you please take a look at 
the config.log attached and tell me if you see anything obviously wrong. 
I also attached the compilation flags I set as environmental variables 
(maybe there is something wrong there). Also, if you have any idea why I 
get the error below, I would be grateful for any advices.

Thanks in advance

Best wishes
vlad

--------------------------------------------error upo testing 
-------------------------------------------------------------------------------------------- 

export 
TESTsander=/scratch/node-06-01/cojocavd/Software/amber10_intel_mpich2/exe/sander.MPI; 
make test.sander.BASIC
make[1]: Entering directory 
`/exports/scratch/cojocavd/Software/amber10_intel_mpich2/test'
cd cytosine && ./Run.cytosine
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator[cli_0]: aborting job:
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator[cli_1]: aborting job:
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator[cli_2]: aborting job:
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator[cli_3]: aborting job:
Fatal error in MPI_Comm_rank: Invalid communicator, error stack:
MPI_Comm_rank(107): MPI_Comm_rank(comm=0x0, rank=0x14150f0) failed
MPI_Comm_rank(65).: Invalid communicator
rank 3 in job 10  node-06-01_60831   caused collective abort of all ranks
 exit status of rank 3: return code 1
rank 1 in job 10  node-06-01_60831   caused collective abort of all ranks
 exit status of rank 1: return code 1
rank 0 in job 10  node-06-01_60831   caused collective abort of all ranks
 exit status of rank 0: return code 1
 ./Run.cytosine:  Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory 
`/exports/scratch/cojocavd/Software/amber10_intel_mpich2/test'
make: *** [test.sander.BASIC.MPI] Error 2

-- 
----------------------------------------------------------------------------
Dr. Vlad Cojocaru

EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg

Tel: ++49-6221-533266
Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

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