AMBER: Amber 8 and LAM compilation problem

From: Glen Otero <>
Date: Wed, 18 May 2005 22:52:00 -0700

I'm having problems building pmemd with LAM and the Intel-8.1
compilers on a p4. I can build a serial pmemd that completes the
factor_ix, hb, and jac benchmarks fine. But building with LAM (7.0.4
or 7.1.1) results in this error:

.../Compile OPT_HI -P nmr_calls.f90
cat nmr_calls.f90 | /lib/cpp -traditional -I/opt/lam/7.0.4/intel/8.0/
ifort -c -auto -tpp7 -xN -ip -O3 _nmr_calls_.f90
fortcom: Error: _nmr_calls_.f90, line 3005: The same named entity
from different modules and/or program units cannot be referenced.
         call opnmrg(redir(2)(1:iredir(2)), iscopn, 2, iout, ierr)
compilation aborted for _nmr_calls_.f90 (code 1)
make[1]: *** [nmr_calls.o] Error 1
make[1]: Leaving directory `/opt/amber8/src/pmemd/src'
make: *** [install] Error 2

I've seen a similar problem reported on the mailing list when using
the PGI compilers, and I'm wondering whether this can be a similar
problem, even though I patched Amber with bugfix.all.

I built LAM with the Intel-8.1 compilers like so:

export CC=icc
export CXX=icpc
export FC=ifort
export F77=ifort
export LDFLAGS="-all-static"
export FFLAGS="-static"
export CFLAGS="-static"
export CXXFLAGS="-static"
export CXXLDFLAGS="-static"

../configure --without-romio --prefix=/opt/lam/7.0.4/intel/8.0
make install

export AMBERHOME=/opt/amber8

I'm using the new_configure script like so:
../new_configure linux_p4 ifort lam



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Received on Thu May 19 2005 - 07:53:01 PDT
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