ORCA 4.1.2 available

Date: 
Thursday, April 18, 2019 - 1:15pm
System(s): 
Owens
Pitzer

ORCA 4.1.2 has been installed on Owens and Pitzer clusters. Two major issues are fixed:

  • Calculations running on multiple nodes using a shared filesystem (GPFS, Lustre)
  • Construction of the DLPNO MP2 gradient when run across multiple nodes