AMBER Archive (2006)

Subject: Re: AMBER: Problems compiling amber9

From: Don Harden (harden_at_gsu.edu)
Date: Mon May 22 2006 - 12:10:15 CDT

Dear Amber Users,

I am having the same problem as Thomas Steinbrecher (Fri Apr 21 2006,
http://structbio.vanderbilt.edu/archives/amber-archive/2006/1305.php )
while trying to compile Amber9.
My system is running:
   Scyldsmp 2.4.22-9
   gcc 2.96
   ifort 9.0
   icc 9.1.038
   mkl 8.1

I've tried with both icc and gcc; no difference.

configure runs fine
----------------------------------
$ ./configure -p4 ifort_ia32
AMBERHOME is set to /usr/local/amber9
Setting up Amber configuration file for architecture: ifort_ia32
Using parallel communications library: none
MKL_HOME is set to /opt/intel/mkl/8.1/
Using MKL libraries from /opt/intel/mkl/8.1//lib/32
 
The configuration file, config.h, was successfully created.
-----------------------------------

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'
make[1]: *** [mmtsb_client.o] Error 1
make[1]: Leaving directory `/usr/local/amber9/src/sander'
make: *** [serial] Error 2
-----------------------------------

Removing the -m32 flag at CC and LOADCC in config.h allows amber to
compile, but the test suit dies. Has anyone found a resolution? My
guess is that my gcc is too old.

Thanks,
Don Harden 

-- 
Don Harden                       harden_at_Gsu.EDU
Department of Chemistry          564 NSC
Georgia State University         ph:  (404) 651-3580
Atlanta, Ga. 30302               fax: (404) 651-1416

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu