heatherkellyucl
heatherkellyucl
I'm in university central IT and we've been asked to install this software for use in teaching. This repo doesn't have a license specified so we can't currently do this....
IN:06165073 > Recently on the Quantum Espresso mailing list a group posted impressive performance with the GPU version of the software. > > They used the exact same GPUs that...
IN:06281531 and also IN06416834 Request for ABAQUS 2023. Have asked Mech Eng if they have installers for that version.
IN:06340800 Should be a straightforward update from https://github.com/UCL-RITS/rcps-buildscripts/blob/b15e1baae012675284718457359fcb3a53cf9926/yambo-5.0.1_install One question: should we update the compiler and MPI from Intel 2017 to `compilers/intel/2022.2` and `mpi/intel/2021.6.0/intel` or stick with the current? https://github.com/yambo-code/yambo/...
IN:05606676 Our latest is 6.0.1. Install procedure is mostly untarring.
IN:06307269 Requested for new features, fewer bugs than 5.2. Good candidate for updating an old buildscript (https://github.com/UCL-RITS/rcps-buildscripts/blob/master/gnuplot-5.0.1_install) to the new style.
IN:06280988 CP2K GPU https://www.cp2k.org/gpu Related: #511 for CPU version. The cuda variants exist in Spack, we should be able to add a similar install with them switched on. Spack 0.20...
IN:06259331 Suggested to fix problem with GATK SplitNCigarReads: https://gatk.broadinstitute.org/hc/en-us/community/posts/18885002525467-Error-in-running-SplitNCigarReads-Attempt-to-add-record-to-closed-writer?page=1
IN:05138360. RCE-932 They've just had bugfix release 5.0.3 as well. Note: may be issues with OpenMPI versions. The binaries (for 5.0.1 anyway) need OpenMPI 4.1, and our install of 4.1.1...