A set of benchmark calculations for the MRChem program on linear alkane chains using a variable number of MPI processes and OpenMP threads/process.
MRChem version : pre-release
Commit : 6ec0bf08fafa37dbccd6ec7a6c5c702761767451
Date : Tue Mar 5 15:03:37 2019 +0100
Hardware configuration:
Cluster : Fram
Host : UiT - The Arctic University of Norway
System : Lenovo NeXtScale nx360
CPU type : Intel E5-2683v4 2.1GHz
Core : 2 x 16-core Intel Broadwell
Memory : 64GiB
Network : Infiniband