Project

General

Profile

Bug #303

grompp estimate of data size does not account for _px.xvg file from pull code

Added by Chris Neale over 11 years ago. Updated over 11 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Hello,

version 4.0.4 grompp gives the following message to me when I utilize the pull code. The estimate is correct for .xtc/.trr/etc, but my 95Mb _px.xvg file is obviously not accounted for in the estimate. I am not sure if the estimate also includes free energy output .xvg files, but it would be worth a check.

"This run will generate roughly 0 Mb of data"

Chris.

History

#1 Updated by Berk Hess over 11 years ago

This was indeed missing (and I knew this already).
I have fixed it for 4.0.5 (if it ever comes out) and 4.1.

Thanks,

Berk

Also available in: Atom PDF