Re: AMBER: Problems compiling amber9

From: Don Harden <>
Date: Tue, 23 May 2006 15:45:02 -0400

David, Thanks for your responce.

1) The cluster has P4s (uname -m returns i686).

2) Compiling with icc 9.1 and with -m32 removed from config.h gave no
errors during "make test.serial", however, I do remember errors using gcc.

3) m32 is not in the gcc 2.96 man page so it may not be a ligitamite
flag in gcc 2.96.

Since amber 9.0 seems to compile and run qith icc 9.1 on our system
we'll go with this.


David A. Case wrote:

>On Mon, May 22, 2006, Don Harden wrote:
>>However the compilation dies with gcc -m32 -c -D_FILE_OFFSET_BITS=64
>>-D_LARGEFILE_SOURCE -O2 -o mmtsb_client.o mmtsb_client.c
>>cc1: Invalid option `32'
>>Removing the -m32 flag at CC and LOADCC in config.h allows amber to
>>compile, but the test suit dies.
>Some basic questions:
>1. What does "uname -m" return:, i.e. what sort of CPU do you have?
>2. What part of the test suite gives problems? Note that mmtsb_client.c is
>just a dummy routine, so it's really frustrating (for both users and us!)
>that C-compiler problems are inhibiting compilation of sander.
>If you also set -DF90_TIMER in AMBERBUILDFLAGS, there will be no C code
>at all in sander. This should isolate Fortran compiler problems from gcc
>problems. So (if it is indeed sander that is failing in the test suite) you
>might try that option.
>3. Does the man page for your gcc installation indicate that "-m32" is
>supposed to be a valid option? It certainly is true that we have not
>tested things with gcc 2.96 (and that particular version always had some
>problems, compared to 2.95 or 3.x or 4.x), but these messages are mysterious.
>The AMBER Mail Reflector
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Don Harden                       harden.Gsu.EDU
Department of Chemistry          564 NSC
Georgia State University         ph:  (404) 651-3580
Atlanta, Ga. 30302               fax: (404) 651-1416
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Received on Wed May 24 2006 - 06:07:16 PDT
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