rcps-buildscripts
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UCL-RITS
Scripts to automate package builds on RC Platforms
IDL 8.7.3 fails to start on Myriad: ``` module load idl/8.7.3 idl ``` ``` (null): [1,7E1,8,0[70000004,0,190A00]] Data corruption found. : Data corruption found. (code : 1879048196) (cll_internal.cpp : 498) (code...
IN:05609617 CPU version at present, but we should probably add a GPU version if we can too. I tried updating our existing buildscript to these modules but the test suite...
IN:05282509 For Young GPU pilot users. Contains fork of AlphaFold2 without the local databases. 1.3.0 is current release. https://github.com/YoshitakaMo/localcolabfold License: MIT Requires: CUDA 11.1 or later, GNU compiler 4.9 or...
Application: poppler compiled with gcc 9.2.0 Link: Cluster: Myriad (initially for econ-myriad users) Description: License: Special versions or variants: Ticket number: IN:05333938
IN:05584147 Large code refactoring to BEAST2 in 2.7 and moving around of packages mean that input files created for/with the current version will not work on older versions. (Eg `beast.base`...
User needs Intel compilers and tools newer than 2021 on Young plus a version of HDF5 to use with them eg: intel-oneapi-compilers-2022.0.1, intel-oneapi-mpi-2021.5.0 etc. https://www.intel.com/content/www/us/en/developer/tools/oneapi/toolkits.html#gs.66tbji
Follow-on from #468 Do the Intel-optimised builds, inc GPU.
IN:05327091 Needs to obtain an additional license for the Molecular Flow Module, once this is in place Martyn will send us a link for the COMSOL 6.0 installer. (The installer...
EPSRC work. Current version is 2.14. (Unless we are meant to be looking at the 3.0 alpha?) https://www.ks.uiuc.edu/Research/namd/2.14/ug/ https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD They have a few prebuilt CUDA binaries.
EPSRC work, plus IN:05095607 Do a GPU build of the current version (GROMACS 2021.5) https://manual.gromacs.org/current/install-guide/index.html