AMBER: Error while compiling Amber

From: Lili Peng <>
Date: Thu, 7 Feb 2008 17:14:42 -0800

Hi everyone,

I am having issues trying to compile AMBER on a Linux cluster using an Intel
Fortran compiler and MPICH2, but Amber is very fussy. Here is a list of some
of the different types of configure setup's that I've tried and the
resulting errors.

*$ ./configure -p4 ifort_x86_64*
_extra_pts.f(319) : (col. 11) remark: init_extra_pts_ has been targeted for
automatic cpu dispatch.
cpp -traditional -P thermo_int.f > _thermo_int.f
ifort -c -w95 -mp1 -O0 -FR -o thermo_int.o _thermo_int.f
cpp -traditional -P matinv.f > _matinv.f
ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o matinv.o _matinv.f
_matinv.f(83) : (col. 11) remark: matinv_ has been targeted for automatic
cpu dispatch.
cpp -traditional -P assert.f > _assert.f
ifort -c -w95 -mp1 -O0 -FR -o assert.o _assert.f
cpp -traditional -P mmtsb.f > _mmtsb.f
ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o mmtsb.o _mmtsb.f
mmtsb_client.o mmtsb_client.c
mmtsb_client.c:1: sorry, unimplemented: 64-bit mode not compiled in
make[1]: *** [mmtsb_client.o] Error 1
make[1]: Leaving directory `/nas/jgrevich/src/amber9/src/sander'
make: *** [serial] Error 2

*$ ./configure -p4 ifort_ia32 *
yacc parser.y
make[2]: execvp: yacc: Permission denied
make[2]: *** [parser.c] Error 127
make[2]: Leaving directory `/nas/jgrevich/src/amber9/src/leap/src/leap'
make[1]: *** [install] Error 2
make[1]: Leaving directory `/nas/jgrevich/src/amber9/src/leap'
make: *** [serial] Error 2

I am following the instructions here

I have tried both the basic install and the multi processor installs with no

If anyone has any suggestions or advice on how to resolve this problem, I
would be most grateful.

Thanks in advance,

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Received on Sun Feb 10 2008 - 06:07:24 PST
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