AMBER Archive (2006)

Subject: AMBER: Parallel compile: ld: cannot find -lfmpi

From: Lachele Foley (Lists) (
Date: Mon Sep 11 2006 - 10:38:00 CDT

Amber9 on an itanium machine (RHEL 3 build 4):
2.4.21-27.EL #1 SMP Wed Dec 1 21:54:21 EST 2004 ia64 ia64 ia64 GNU/Linux

The parallel compile fails with the following:

                   qm_div.o force.o \
        ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
        ../lib/nxtsec.o ../lib/sys.a -L/opt/scali/lib -lfmpi -lmpi
/opt/intel/mkl721//lib/64/libmkl_ipf.a -L/opt/intel/mkl721//lib/64
-lguide -lpthread -ldl
ld: cannot find -lfmpi
make[1]: *** [sander.MPI] Error 1
make[1]: Leaving directory `/usr/local/programs/amber9/src/sander'
make: *** [parallel] Error 2

The file exists in /opt/scali/lib, and is
world-readable/executable. I have MPI_HOME set to /opt/scali, and you
can see that the compiler is instructed to look there.

Here is some other information I think might be useful based on previous posts:

$ file ELF 64-bit LSB shared object, IA-64, version 1 (SYSV), not stripped
$ file qm_div.o
qm_div.o: ELF 64-bit LSB relocatable, IA-64, version 1 (GNU/Linux), not stripped

My config.h file is attached. I tried using -static and then using
gcc after it didn't work the other way.

I got an earlier, development build of amber9 to compile. The config
file is also attached (the older one). I only see a few differences
that might be substantive, but I can't tell which are relevant, if

By the way, if it matters, I'm not installing as root, but didn't
install as root the time before when it worked.

:-) Lachele
Lachele Foley

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