From: Shadrina Maria (shadrinams_at_gmail.com)
Date: Tue May 30 2017 - 10:12:46 CDT
I use NAMD_2.12_Win64-multicore-CUDA to run some simulations on my local
Usually, it works perfectly well. But when I set up Multilevel Summation
Method (MSM), NAMD crashes without an obvious reason. The last step in the
output file is "TCL: Minimizing for 18000 steps" with no warnings or
When I set MSM off or replace it by PME, NAMD runs without crashing. The
same job with MSM runs well on NAMD 2.12b1 for Linux-x86_64-MPI.
I noticed that the output file from the Windows machine misses all
information about MSM (between Startup phase 6 and Startup phase 7) that
the output from the Limux machine have.
I also tried to run the corresponding tutorial (
and got the same problem on my Windows computer.
Does anybody have an idea what can be wrong or what should I check to solve
Thank you in advance.
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