Installing CHARMM c27b1 on Red Hat 7.3

Joseph Landman landman at scalableinformatics.com
Sat Oct 5 11:24:04 EDT 2002


Hi Eugene:

  Some codes have problems with the 2.96 "version" of GCC distributed
with the Redhat 7.x releases.  Try installing the GCC 3.0.4 rpms and use
this compiler instead.

  You may need to do a 

	setenv CC gcc3
	setenv CXX g++3
	setenv F77 g77-3

  Note:  the 3.0.4 is not the latest/greatest gnu compiler.  3.2 is out,
and is reasonably good.  There are no RPMs for it, so you would have to
build it yourself, and install it on your nodes.  This would likely
involve adjusting /etc/ld.so.conf to point to the location of the shared
libraries.

Joe


On Sat, 2002-10-05 at 10:57, Eugene Tarasov wrote:
> Has anyone tried installing CHARMM c27b1 on Red Hat 7.3.  It appears that the built in compiler has some difficulties with CHARMM.  I have installed Charmm on Slackware before without diffuculties, but the new machines I got came with Red Hat, and I don't have the heart to replace the OS.  If anyone has encountered the same problem and overcame it please let me know how you did it?
> Thank You
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-- 
Joseph Landman, Ph.D
Scalable Informatics LLC
email: landman at scalableinformatics.com
  web: http://scalableinformatics.com
phone: +1 734 612 4615

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