From: Mahmood Naderan (mahmood.nt_at_gmail.com)
Date: Wed Mar 07 2018 - 14:24:31 CST
I managed to solve that problem. It seems that Make.charm has the
following hard coded path
CHARMBASE = /Projects/namd2/charm-6.8.2
So, I changed that to
CHARMBASE = /home/mahmood/namd-2.12/namd/charm-6.7.1
then I ran make and everything went good. As I ran the following
command from the tutorial
namd2 ubq_ws_eq.conf > ubq_ws_eq.log
I noticed that the gpu utilization was low and only one cpu core was
busy. That means the binary that I have doesn't use GPU while in the
log file namd says one Quadro M2000 is found.
Charm++> cpu topology info is gathered in 0.000 seconds.
Info: Built with CUDA version 9000
Did not find +devices i,j,k,... argument, using all
Pe 0 physical rank 0 binding to CUDA device 0 on orca: 'Quadro
M2000' Mem: 4035MB Rev: 5.2 PCI: 0:23:0
Info: NAMD 2.12 for Linux-x86_64-multicore-CUDA
WallClock: 173.139786 CPUTime: 172.964005 Memory: 428.757812 MB
Please see the full log at https://pastebin.com/Zxg8uSzx
As you can see it finally reports the cpu time. Did I miss something
for the gpu configuration?
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