Bug #221
gmxtest.pl not reporting errors in check_force, check_virial, and check_xvg
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.
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.