WebMO

WebMO is a computational chemistry tool maintained in the cluster world. Currently it lives on Whedon. The official project website is here and you can access our instance (if you have a WebMO-specific user account) here.

An old configuration example

Notes below taken from here.

WebMO

• yum installed httpd
• Installed on bs0 with the following params:

Path to perl:         /usr/bin/perl
Webserver name:       bs0-new.cluster.earlham.edu
HTML directory:       /var/www/webmo
HTML URL:             /webmo
CGI script directory: /var/www/cgi-bin
CGI script URL:       /cgi-bin
User files directory: /mounts/bobsced/WebMO

• Get this error when authing with LDAP: Can't locate Authen/Simple/LDAP.pm
• yum installed perl-LDAP.noarch, didn't work, so used CPAN to install Authen::Simple::LDAP
• edited /var/www/cgi-bin/interfaces/authen.conf for our LDAP settings
• Before externally authenticated users can use it, you have to go in as administrator and check the box to allow them in the Webmo group (or whatever other group)
• Gamess:
  • yum install compat-gcc-34-g77.x86_64 and gfortran
  • Followed directions from Webmo site
• Added the following line to httpd.conf:

SuexecUserGroup bob users

• Gaussian 09 not supported, though it's installed in /mounts/bobsced/usr/local/g09
• Installed g03, except get errors:

Erroneous write during file extend. write 160 instead of 4096
Probably out of disk space.
Write error in NtrExt1: No such file or directory

or

Write error in NtrExt1: Bad address

• • To fix this, do echo 0 > /proc/sys/kernel/randomize_va_space
  • This needs to be set to happen all the time on boot