You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I would like to ask for a more recent version of PLUMED for Young. I would attempt myself but am very wary of messing up the blas and lapack, which would make it slow and defeat the purpose.
PLUMED is the code of choice for enhanced sampling simulations.
License: open source, LGPL-3.0.
Equally as important for me as the version is the inclusion of all additional modules as I would use a large bunch of them (for example, at least the pytorch, ves, and opes modules immediately off the top of my head). The current installation only includes the crystallization module.
Configuring the install to include modules is documented here: https://www.plumed.org/doc-master/user-doc/html/_installation.html#additional-modules
or with --enable-modules=all
A big thank you!
The text was updated successfully, but these errors were encountered:
I would like to ask for a more recent version of PLUMED for Young. I would attempt myself but am very wary of messing up the blas and lapack, which would make it slow and defeat the purpose.
Current version: PLUMED 2.9.1 (with modules) at https://github.com/plumed/plumed2/releases/tag/v2.9.1
Latest on Young: PLUMED 2.7.2 (with as far as I can tell only the crystallization module)
Most recent build script found: https://github.com/UCL-RITS/rcps-buildscripts/blob/4404e4481e4d6c2491ddd26bb750150e6cd7cbe0/plumed-2.7.2_install
Cluster: Young
PLUMED is the code of choice for enhanced sampling simulations.
License: open source, LGPL-3.0.
Equally as important for me as the version is the inclusion of all additional modules as I would use a large bunch of them (for example, at least the pytorch, ves, and opes modules immediately off the top of my head). The current installation only includes the crystallization module.
Configuring the install to include modules is documented here: https://www.plumed.org/doc-master/user-doc/html/_installation.html#additional-modules
or with
--enable-modules=all
A big thank you!
The text was updated successfully, but these errors were encountered: