AMBER: Amber 8 compilation

From: A. Hungie <>
Date: Wed, 26 May 2004 23:23:07 +0700

Dear All,

I have posted my question a few days agao, but nobody gave me a suggestion,
that why I have to post again. My problem is as followed.

I have successed compilation of Amber 8 on Linux cluster with "make serial"
and (almost) passed all tests.
then I have compiled as parallel by:

1. install mpich-
% cd /usr/local/mpich-
% setenv CC gcc
% setenv FC ifort
% ./configure --prefix=/usr/local/mpich- -cc=$CC -fc=$FC
% make
% make install

Everything was fine for mpich compilation

2. install Amber 8
% setenv MPICH_HOME /usr/local/mpich-
% setenv AMBERHOME /usr/local/amber8
% make clean
% ./configure -mpich ifort
% make parallel

this process took some minutes and then I got error as


       ../lmod/lmod.a -L/usr/local/mpich- -lmpich -lU77 \
       ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
/usr/bin/ld: cannot find -lU77
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/usr/local/amber8/src/sander'
make: *** [parallel] Error 2

What is "-lU77"? Could you please help me to solve such problem?
Thank you very much in advance.


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Received on Thu May 27 2004 - 10:53:01 PDT
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