rsnt_translations
56,437
edits
CPMD: Difference between revisions
no edit summary
(Marked this version for translation) |
No edit summary |
||
| Line 10: | Line 10: | ||
<!--T:3--> | <!--T:3--> | ||
In the past, access to CPMD | In the past, access to CPMD required registration and confirmation with the developers, but now that it is open source, registration on their website is no longer needed. However, the modules installed on our clusters are still protected by a POSIX group. | ||
<!--T:47--> | <!--T:47--> | ||
Before you can start using [http://cpmd.org CPMD] on our clusters, | Before you can start using [http://cpmd.org CPMD] on our clusters, [[Technical_support | send us a support request]] and ask to be added to the POSIX group that will allow you to access the software. | ||
= Module = <!--T:14--> | = Module = <!--T:14--> | ||
| Line 28: | Line 28: | ||
<!--T:18--> | <!--T:18--> | ||
It has recently been our experience that a response from CPMD admins can unfortunately take weeks or even months. If you are a registered CPMD user, you have access to the CPMD source files and can therefore build the software yourself in your /home directory using our software environment called EasyBuild, with the exact same recipe that we would use for a central installation. | |||
<!--T:4--> | <!--T:4--> | ||
| Line 34: | Line 34: | ||
<!--T:5--> | <!--T:5--> | ||
Create a local directory | Create a local directory like so | ||
$ mkdir -p ~/.local/easybuild/sources/c/CPMD | $ mkdir -p ~/.local/easybuild/sources/c/CPMD | ||
<!--T:6--> | <!--T:6--> | ||
Place all the CPMD source tarballs and patches into that directory | Place all the CPMD source tarballs and patches into that directory. | ||
<pre> | <pre> | ||
$ ls -al ~/.local/easybuild/sources/c/CPMD | $ ls -al ~/.local/easybuild/sources/c/CPMD | ||
| Line 54: | Line 54: | ||
<!--T:7--> | <!--T:7--> | ||
Then run the EasyBuild command | Then run the EasyBuild command. | ||
$ eb CPMD-4.3-iomkl-2020a.eb --rebuild | $ eb CPMD-4.3-iomkl-2020a.eb --rebuild | ||
<!--T:8--> | <!--T:8--> | ||
The <code>--rebuild</code> option forces EasyBuild to ignore CPMD 4.3 installed in a central location and proceed instead with the installation in your home directory. | The <code>--rebuild</code> option forces EasyBuild to ignore CPMD 4.3 installed in a central location and proceed instead with the installation in your /home directory. | ||
<!--T:9--> | <!--T:9--> | ||
| Line 64: | Line 64: | ||
<!--T:10--> | <!--T:10--> | ||
Now, when you type <code>module load cpmd</code>, the software installed in your home directory will get picked up. | Now, when you type <code>module load cpmd</code>, the software installed in your /home directory will get picked up. | ||
<!--T:11--> | <!--T:11--> | ||