WebMO

WebMO is a web interface to the Gaussian chemistry tool maintained in the cluster world. Currently it and Gaussian live 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