Running QCxMS on EPYC node with 128 cores

[tobigithub]

Its always fun to see how to utilize QCxMS on HPC platforms, this is QCxMS running on a single box with 2xAMD EPYC 7H12 64-Core Processor, hence 128 cores and 256 threads. The qcxms production runs are set to 4 threads and 2 cores, therefore utilization should be around 50% based on 256 threads (picture below). Also 1 Terabyte memory is not really needed for QCxMS.

The hardware is also explained here in an independent article.
https://www.servethehome.com/amd-epyc-7h12-review-the-supercomputer-epyc/

lscpu
Architecture:          x86_64
CPU op-mode(s):        32-bit, 64-bit
Byte Order:            Little Endian
CPU(s):                256
On-line CPU(s) list:   0-255
Thread(s) per core:    2
Core(s) per socket:    64
Socket(s):             2
NUMA node(s):          2
Vendor ID:             AuthenticAMD
CPU family:            23
Model:                 49
Model name:            AMD EPYC 7H12 64-Core Processor
Stepping:              0
CPU MHz:               3301.418
CPU max MHz:           2600.0000
CPU min MHz:           1500.0000
BogoMIPS:              5181.44
Virtualization:        AMD-V
L1d cache:             32K
L1i cache:             32K
L2 cache:              512K
L3 cache:              16384K
NUMA node0 CPU(s):     0-63,128-191
NUMA node1 CPU(s):     64-127,192-255
Flags:                 fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq monitor ssse3 fma cx16 sse4_1 sse4_2 x2apic movbe popcnt aes xsave avx f16c rdrand lahf_lm cmp_legacy svm extapic cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw ibs skinit wdt tce topoext perfctr_core perfctr_nb bpext perfctr_llc mwaitx cpb cat_l3 cdp_l3 hw_pstate sme ssbd ibrs ibpb stibp vmmcall fsgsbase bmi1 avx2 smep bmi2 cqm rdt_a rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves cqm_llc cqm_occup_llc cqm_mbm_total cqm_mbm_local clzero irperf xsaveerptr arat npt lbrv svm_lock nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold avic v_vmsave_vmload vgif umip rdpid overflow_recov succor smca