[gmx-users] nature of gromacs / gcc-4.x problem

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Aug 7 05:18:49 CEST 2008


I am trying to track down the exact nature of the gcc-4.1.x / gromacs  
bug. I have a system on which we were forced to reinstall gromacs  
(3.3.1 and 3.3.3) about 2 weeks ago and I didn't realize that the  
default gcc was bumped to 4.1.2.

I am interested because ideally we won't need to throw out the last  
two weeks of simulation.

The installation went fine and I have just run the tests in serial  
single precision, which all passed (except dec+water, although that  
was as indicated to be actually ok on the wiki... LJ (SR)           
step  34:      -0.21167,  step  34:    -0.147217)

I searched the archives, but a simple search for gcc is overwhelming  
and I couldn't find anything specific. I did find some references to  
the bugzilla (without links), but even when I search for gcc on  
bugzilla I get Zarro Boogs found.


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