AMBER Archive (2006)

Subject: AMBER: parallel compile problems on amber8

From: hayden (s0237717_at_sms.ed.ac.uk)
Date: Tue Jan 31 2006 - 12:55:34 CST

Dear Amber community

I am having problems installing the parallel version of amber on our xeon
EM64T cluster (suse linux 9.2) using an ifort compiler. The serial version
compiles just fine, but when I configure it as cd follows:

./configure -lam -static ifort
Make parallel

It seems to go fine, until the sander component, whereby I get the following
type of error messages:

debug.o(.text+0xfba9): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0xfca3): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x10053): In function `force_dump_':
: undefined reference to `mpi_barrier_'
debug.o(.text+0x102bd): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x103b7): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x10729): In function `force_dump_':
: undefined reference to `mpi_barrier_'
debug.o(.text+0x10993): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x10a8d): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x10ef6): In function `force_dump_':
: undefined reference to `mpi_barrier_'
debug.o(.text+0x1115b): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0x11257): In function `force_dump_':
: undefined reference to `mpi_reduce_'
ew_dipole_recip.o(.text+0x72a): In function `do_pmesh_dipole_kspace_':
: undefined reference to `mpi_barrier_'

(There are many more like this, but I have omitted them).

I have tried as suggested in the instruction manual to set the
FPPFLAGS variable as follows: FPPFLAGS= -DMPI -I/opt/lam-7.1.1/share/include

Any ideas as to what might be causing this set of errors?

Many thanks in advance

Hayden Eastwood

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