GROMACS version:2022/2022.6
GROMACS modification: No
Dear all.
I installed Gromacs on four machines, present in the UNIFESP Data Center, each machine has the following architecture:
Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Byte Order: Little Endian
Address sizes: 48 bits physical, 48 bits virtual
CPU(s): 24
On-line CPU(s) list: 0-23
Thread(s) per core: 2
Core(s) per socket: 6
Socket(s): 2
NUMA node(s): 4
Vendor ID: AuthenticAMD
CPU family: 21
Model: 2
Model name: AMD Opteron™ Processor 6344
Stepping: 0
Frequency boost: enabled
CPU MHz: 2725.556
CPU max MHz: 2600.0000
CPU min MHz: 1400.0000
BogoMIPS: 5199.82
Virtualization: AMD-V
L1d cache: 192 KiB
L1i cache: 768 KiB
L2 cache: 24 MiB
L3 cache: 24 MiB
NUMA node0 CPU(s): 0-5
NUMA node1 CPU(s): 6-11
NUMA node2 CPU(s): 12-17
NUMA node3 CPU(s): 18-23
At the moment I am using SIMD instructions to optimize the simulation in each maquine
My question is: Is it possible to parallelize the jobs between machines?
If so, where can I find the instructuion for it.
Thank’s