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Bug #221

gmxtest.pl not reporting errors in check_force, check_virial, and check_xvg

Added by Allan Tong about 11 years ago. Updated almost 11 years ago.

Status:
Closed
Priority:
Normal
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Line 200 in gmxtest.pl assigns the output of a shell command to $nerr_pot. This value has a newline appended to it, and even if the result is zero errors, perl will treat a "0\n" as a true value, and it will ignore $nerr_force, $nerr_vir, and $nerr_xvg when determining $nerror.

Adding a chomp($nerr_pot) fixes the problem, and also happens to reveal 7 failures in the single precision complex tests, all in check_virial. This is on 3.3.3 running on Linux x86_64.

checkvir.out (15 KB) checkvir.out gmxcheck output Allan Tong, 10/09/2008 04:23 PM

History

#1 Updated by David van der Spoel about 11 years ago

I've added the chomp to the cvs version. However I do not get more errors than without it. Could it be that you use the gcc 4.1.x compiler?

#2 Updated by Allan Tong about 11 years ago

I've tried gcc 3.3, 3.4, 4.2, and 4.3. In all cases I get the failures running the tests with SSE. Compiling with "-O0" and running the C-loops, however, the tests all pass. So it seems that the failures I'm seeing are only with x86_64 SSE.

#3 Updated by David van der Spoel about 11 years ago

And what is the nature of the failures? Are the results very different?

#4 Updated by Allan Tong about 11 years ago

Created an attachment (id=286)
gmxcheck output

This is checkvir.out from the field test. Overall the values don't seem to be that far off to me.

#5 Updated by David van der Spoel almost 11 years ago

Indeed the values are quite similar. Since I added the chomp I'm closing this bugreport now.

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