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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 12:33, 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