AMBER Archive (2007)

Subject: AMBER: Amber9 parallel installation error (with openMPI)

From: Joe Nolan (spaceace13666_at_yahoo.com)
Date: Mon Oct 29 2007 - 15:02:10 CST

Dear Amber community,
I have been attempting to install a parallel version of Amber9 with OpenMPI. I have edited my config.h file as follows:
>>FPPFLAGS= -I/usr/local/include -P -DMPI-xassembler-with-cpp -Dsecond=ambsecond $(AMBERBUILDFLAGS)
>>FC=/usr/local/bin/mpif90

This is in response to a previous error by which the "mpif-common.h" can not be found. "/usr/local" is synonymous with $MPI_HOME on this machine.
The tail end of the error is as follows:

>>_force.f:(.text+0x19d3): undefined reference to `mpi_bcast_'
>>_force.f:(.text+0x1a03): undefined reference to `mpi_bcast_'
>>force.o:_force.f:(.text+0x1a32): more undefined references to `mpi_bcast_' follow
>>force.o: In function `force_':
>>_force.f:(.text+0x226a): undefined reference to `mpi_allgather_'
>>_force.f:(.text+0x22aa): undefined reference to `mpi_allgather_'
>>collect2: ld returned 1 exit status
>>make[1]: *** [sander.MPI] Error 1
>>make[1]: Leaving directory `/usr/local/amber9/src/sander'
>>make: *** [parallel] Error 2

Any and all input is always greatly appreciated!
-Joe Nolan

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