Colleagues,
I am shopping for a new mac laptop and have the following questions:
Does Q-Chem run on M2 processors? Does it compile?
Do we have timing benchmarks and comparisons of the performance?
There are two choices: M2Pro and M2Max. Both are 12-core CPU with 8 performance cores and 4 efficiency cores. Any idea whether M2Max is better that M2Pro?
The performance on M1 looks quite promising: for a pyridine wB97M-V/def2-TZVP calculation with 8 threads, the wall time on Apple M1 is 18.91s, and with my group’s quite new linux server (AMD EPYC 7763 64-Core Processor 2.45 GHz) it took 27.89s. The only thing I noticed that is a bit strange is that on M1 the qcprog executable always need to take a few seconds to react when you type “qchem [input] [output]” and hit Enter.