Amber 7 sander newly compiled on a linux cluster gives the following error:
1 - MPI_COMM_RANK : Null communicator
[1] Aborting program !
[1] Aborting program!
Process aborting...
IOT Trap
0 - MPI_COMM_RANK : Null communicator
[0] Aborting program !
[0] Aborting program!
Process aborting...
IOT Trap
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System:
Linux cluster 2.4.9-31smp
Mpich-1.2.1..7b
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Makefile used to create the Amber7 sander giving above error:
An altered version of "Machine.g77_mpich". Amber7 would only finish compiling when the "g77" references in Machine.g77_mpich were changed to "mpif77" per a reflector e-mail.
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It is noteworthy that when Amber7 is compiled non-parallel using Machine.g77 without any alterations, sander runs fine.
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Some additional notes...
Compiling behavior with other machine files:
Attempted compiling with Machine.g77_mpich unaltered gives the following type of error:
g77 -c -g _nxtsec_.f
../Compile LOAD -o new2oldparm new2oldparm.o nxtsec.o
g77 -O6 -o new2oldparm new2oldparm.o nxtsec.o -lm -L/usr/local/mpich-1.2.4..8/lib -lmpich
/usr/local/mpich-1.2.4..8/lib/libmpich.a(gmpi_regcache.o): In function `gmpi_regcache_init':
gmpi_regcache.o(.text+0x1e): undefined reference to `gm_hash_hash_ptr'
gmpi_regcache.o(.text+0x23): undefined reference to `gm_hash_compare_ptrs'
etc....
make[1]: *** [new2oldparm] Error 1
make[1]: Leaving directory `/home/switzer/amber7/src/lib'
make: *** [install] Error 2
I have pgf77. Attempted compilation with Machine.pgf77_mpi gives errors of the following sort:
SYSLIB=`../sysdir lib` ; ../Compile LOAD -o sander \
sander.o ....etc..... ../blas/blas.a ../lib/nxtsec.o $SYSLIB;
pgf77 -o sander sander.o cshf.o ....etc..... decomp.o ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o
/home/switzer/amber7/src/Machines/standard/sys.a -lm
sander.o: In function `trajene':
_sander_.f:1084: undefined reference to `mpi_init__'
_sander_.f:1085: undefined reference to `mpi_comm_rank__'
_sander_.f:1086: undefined reference to `mpi_comm_size__'
_sander_.f:1282: undefined reference to `mpi_bcast__'
....etc....
new_time.o(.text+0x2f46): undefined reference to `mpi_send__'
new_time.o(.text+0x32dd): undefined reference to `mpi_recv__'
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/home/switzer/amber7/src/sander'
make: *** [install] Error 2
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Any help much appreciated.
Sincerely,
Chris Switzer
Chemistry Dept
UC Riverside
Riverside, CA
92521
Received on Fri Jan 03 2003 - 19:18:11 PST
