Difference between revisions of "WebMO"
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(Created page with "WebMO is a computational chemistry tool maintained in the cluster world. Some possibly useful pages: * an early WebMO configuration example") |
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WebMO is a computational chemistry tool maintained in the cluster world. | WebMO is a computational chemistry tool maintained in the cluster world. | ||
| − | + | == An old configuration example == | |
| − | + | ||
| + | [[Cluster:_New_BobSCEd_Install_Log|Notes below taken from here.]] | ||
| + | |||
| + | '''WebMO''' | ||
| + | * yum installed httpd | ||
| + | * Installed on bs0 with the following params: | ||
| + | <pre> | ||
| + | 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</pre> | ||
| + | * Get this error when authing with LDAP: <code>Can't locate Authen/Simple/LDAP.pm</code> | ||
| + | * 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 [http://www.webmo.net/support/gamess_linux.html Webmo site] | ||
| + | * Added the following line to httpd.conf: | ||
| + | :<code>SuexecUserGroup bob users </code> | ||
| + | * Gaussian 09 not supported, though it's installed in /mounts/bobsced/usr/local/g09 | ||
| + | * Installed g03, except get errors: | ||
| + | <pre>Erroneous write during file extend. write 160 instead of 4096 | ||
| + | Probably out of disk space. | ||
| + | Write error in NtrExt1: No such file or directory | ||
| + | </pre> | ||
| + | or | ||
| + | <pre>Write error in NtrExt1: Bad address</pre> | ||
| + | ** To fix this, do <code>echo 0 > /proc/sys/kernel/randomize_va_space</code> | ||
| + | ** <font color="green">This needs to be set to happen all the time on boot</font> | ||
Revision as of 08:33, 21 August 2019
WebMO is a computational chemistry tool maintained in the cluster world.
An old configuration example
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
- To fix this, do
