Cassandra 1.2 > Restarting Simulations
- piskuliche
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7 years 10 months ago - 7 years 10 months ago #138
by piskuliche
Hi Ryan,
Sorry for pestering you with questions. Continuing with the binary simulation, there seems to be a new issue that has cropped up. Specifically I am getting glibc errors after about 5000 steps with the simulation.
Any idea what might be causing this? It seems to be working with regular gemc but not with gemc_npt.
*** glibc detected *** Cassandra_1.2.exe: free(): corrupted unsorted chunks: 0x0000000001ff2610 ***
*** glibc detected *** Cassandra_1.2.exe: malloc(): memory corruption: 0x0000000002007b50 ***
I'm not sure if it is a compilation issue causing this or maybe something else?
(I've included my files for the run)
Zeke
Sorry for pestering you with questions. Continuing with the binary simulation, there seems to be a new issue that has cropped up. Specifically I am getting glibc errors after about 5000 steps with the simulation.
Any idea what might be causing this? It seems to be working with regular gemc but not with gemc_npt.
*** glibc detected *** Cassandra_1.2.exe: free(): corrupted unsorted chunks: 0x0000000001ff2610 ***
*** glibc detected *** Cassandra_1.2.exe: malloc(): memory corruption: 0x0000000002007b50 ***
I'm not sure if it is a compilation issue causing this or maybe something else?
(I've included my files for the run)
Zeke
Last Edit: 7 years 10 months ago by piskuliche.
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- ryangmullen
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7 years 10 months ago #140
by ryangmullen
I think I figured it out. Ewald arrays were not being properly allocated when changing the box size.
But now I can't upload the corrected code to the website. We may not get it up until Monday when IT can look at the issue.
But now I can't upload the corrected code to the website. We may not get it up until Monday when IT can look at the issue.
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7 years 10 months ago #142
by ryangmullen
Also, it looked like your model of EO is rigid, yes? (All the angles are fixed in the .mcf). If that's the case, you don't need to perform any regrowth moves b/c there are no internal degrees of freedom for the molecule.
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