[Wien] w2wc parallel

[Rubel, Oleg]

You are right. "x w2w -p" does not take advantage of parallelization (I am not sure about OMP?), but its main purpose is to properly reads files created at "x lapw1 -p" level.

[rubel at gra796 lambda1]$ cat .machines
1:localhost
1:localhost
[rubel at gra796 lambda1]$ x w2w  -p
W2W END
3.496u 0.110s 0:03.65 98.6%     0+0k 35720+5712io 113pf+0w

There is only one process at ~100%.

Here is what will happen if you run LAPW with -p and w2w not:

[rubel at gra796 lambda1]$ x w2w
forrtl: severe (24): end-of-file during read, unit 50, file /scratch/rubel/berrypi/tutorials/tutorial1/lambda1/lambda1.energy
Image              PC                Routine            Line        Source
w2wc               0000000000448BBE  Unknown               Unknown  Unknown
w2wc               000000000047527A  Unknown               Unknown  Unknown
w2wc               000000000042DDEF  MAIN__                     99  main.f
w2wc               0000000000402BEE  Unknown               Unknown  Unknown
libc.so.6          00002B7FE008D2E0  Unknown               Unknown  Unknown
w2wc               0000000000402AEA  Unknown               Unknown  Unknown
0.005u 0.028s 0:00.05 40.0%     0+0k 21672+16io 60pf+0w
error: command   /home/rubel/WIEN2k_19.2/w2wc w2w.def   failed

I hope it will help
Oleg

________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of karima Physique <physique.karima at gmail.com>
Sent: Thursday, September 3, 2020 16:16
To: A Mailing list for WIEN2k users
Subject: [Wien] w2wc parallel

Dear wien2k users,

When I run the x w2w -p command, I see that there is a one core occupied (non-parallel) despite the presence of the machine file

Any suggestions?