Linux + Molcas 5.4 + mpich-1.2.4 compile problem

Posted by Maarten Wegewijs on September 12, 2003 at 10:38:28:

Hello all,

since I don't want to claim a bug in Molcas in my first post :) I did not sent this to the problem report system.

I succesfully compiled (and ran) Molcas 5.4 for linux on a P4 system running suse linux 8.1 (kernel 2.4.19-4GB) using both gcc 3.2 and icc 6.0 (Build 020312Z).
Compiling it with mpich doesn't work however.
(see part of my configure command and make.log below)
In all cases I patched up molcas to level 111.

My question: what version of mpich is required for/has been tested for molcas 5.4? I scanned the manual, and parts of the package for this but found no clue.
On our system we have mpich-1.2.4-23 installed. Could this be a problem?

**************
My configure command:

export PAR_ROOT=/opt/mpich;
./configure -os Linux-x86 -compiler gnu -speed safe -parallel mpich -packages;

It produces descent output i think (relevant parts)

OS='Linux-x86'
COMPILER='gnu'
SPEED='safe'
PARALLEL='yes'
MSGPASS='mpich'
...
CPP='/usr/bin/cpp'
F77='/usr/bin/g77'
F90=''
CC='/usr/bin/gcc'
GALIB=' -L/home/tpax/apps/molcas54.gnu.mpich/g/lib/LINUX -lma -ltcgmsg-mpi -lglobal -larmci -lpario -L/opt/mpich/lib -lmpich'
GATARGET='LINUX'
GAOPTIONS='MPI_LIB=/opt/mpich/lib MPI_INCLUDE=/opt/mpich/include LIBMPI=-lmpich USE_MPI=yes'
...
RUNBINARY='/opt/mpich/bin/mpirun -np $CPUS $program'

***********************
tail of my make.log:

test.F: In subroutine `check_complex':
test.F:733: warning:
iran(i) = int(util_drand(0)*real(i)) + 1
^
Explicit type declaration for intrinsic `REAL' disagrees with invocation at (^)
test.F: In subroutine `check_int':
test.F:1202: warning:
iran(i) = int(util_drand(0)*real(i)) + 1
^
Explicit type declaration for intrinsic `REAL' disagrees with invocation at (^)
/opt/mpich/lib/libmpich.a(context_util.o): In function `MPIR_Context_alloc':
context_util.o(.text+0x5d): undefined reference to `PMPI_Allreduce'
context_util.o(.text+0x8e): undefined reference to `PMPI_Bcast'
context_util.o(.text+0x10c): undefined reference to `PMPI_Sendrecv'
context_util.o(.text+0x14f): undefined reference to `PMPI_Allreduce'
collect2: ld returned 1 exit status
gmake[3]: *** [test.x] Error 1
gmake[2]: *** [test.x] Error 1
gmake[1]: *** [test] Error 2

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Re: Linux + Molcas 5.4 + mpich-1.2.4 compile problem Juraj Raab 10:58:57 10/22/03 (0)

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Comments:
: Hello all, : since I don't want to claim a bug in Molcas in my first post :) I did not sent this to the problem report system. : I succesfully compiled (and ran) Molcas 5.4 for linux on a P4 system running suse linux 8.1 (kernel 2.4.19-4GB) using both gcc 3.2 and icc 6.0 (Build 020312Z). : Compiling it with mpich doesn't work however. : (see part of my configure command and make.log below) : In all cases I patched up molcas to level 111. : My question: what version of mpich is required for/has been tested for molcas 5.4? I scanned the manual, and parts of the package for this but found no clue. : On our system we have mpich-1.2.4-23 installed. Could this be a problem? : ************** : My configure command: : export PAR_ROOT=/opt/mpich; : ./configure -os Linux-x86 -compiler gnu -speed safe -parallel mpich -packages; : It produces descent output i think (relevant parts) : OS='Linux-x86' : COMPILER='gnu' : SPEED='safe' : PARALLEL='yes' : MSGPASS='mpich' : ... : CPP='/usr/bin/cpp' : F77='/usr/bin/g77' : F90='' : CC='/usr/bin/gcc' : GALIB=' -L/home/tpax/apps/molcas54.gnu.mpich/g/lib/LINUX -lma -ltcgmsg-mpi -lglobal -larmci -lpario -L/opt/mpich/lib -lmpich' : GATARGET='LINUX' : GAOPTIONS='MPI_LIB=/opt/mpich/lib MPI_INCLUDE=/opt/mpich/include LIBMPI=-lmpich USE_MPI=yes' : ... : RUNBINARY='/opt/mpich/bin/mpirun -np $CPUS $program' : *********************** : tail of my make.log: : test.F: In subroutine `check_complex': : test.F:733: warning: : iran(i) = int(util_drand(0)*real(i)) + 1 : ^ : Explicit type declaration for intrinsic `REAL' disagrees with invocation at (^) : test.F: In subroutine `check_int': : test.F:1202: warning: : iran(i) = int(util_drand(0)*real(i)) + 1 : ^ : Explicit type declaration for intrinsic `REAL' disagrees with invocation at (^) : /opt/mpich/lib/libmpich.a(context_util.o): In function `MPIR_Context_alloc': : context_util.o(.text+0x5d): undefined reference to `PMPI_Allreduce' : context_util.o(.text+0x8e): undefined reference to `PMPI_Bcast' : context_util.o(.text+0x10c): undefined reference to `PMPI_Sendrecv' : context_util.o(.text+0x14f): undefined reference to `PMPI_Allreduce' : collect2: ld returned 1 exit status : gmake[3]: *** [test.x] Error 1 : gmake[2]: *** [test.x] Error 1 : gmake[1]: *** [test] Error 2

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