[AMBER-Developers] Minor diff in test result for kmmd/kmmd_pmemd and kmmd/kmmd_pmemd_gb

From: Åke Sandgren via AMBER-Developers <amber-developers.ambermd.org>
Date: Thu, 25 Aug 2022 10:51:15 +0200

Hi!

When building here with GCC 11.2.0 I get a small diff in kmmd_pmemd test
results. Should the test be changed from dacdif -t 2 to dacdif -t 1 or
is that to aggressive?

===
b-an02 [/scratch/ake/amber22/amber22_src]$ cat
/dev/shm/eb-ake/Amber/22.0/foss-2021b-AmberTools-22.3/test/kmmd/kmmd_pmemd/mdout.dif
919c919
< EAMBER (non-restraint) = 124.42

---
 >  EAMBER (non-restraint)  =       124.41
===
===
b-an02 [/scratch/ake/amber22/amber22_src]$ cat 
/dev/shm/eb-ake/Amber/22.0/foss-2021b-AmberTools-22.3/test/kmmd/kmmd_pmemd_gb/mdout.dif
803c803
<  EELEC  =        42.26  EGB     =        40.14  RESTRAINT  =         1.20
---
 >  EELEC  =        42.26  EGB     =        40.14  RESTRAINT  =         1.19
===
-- 
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake.hpc2n.umu.se  Mobile: +46 70 7716134  Fax: +46 90-580 14
WWW: http://www.hpc2n.umu.se
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Received on Thu Aug 25 2022 - 02:00:02 PDT