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Bug #1034

Updated by Szilárd Páll over 8 years ago


OS: Debian linux version 6.0.6
compiler: gcc version 4.4
results of runs with the following configurations:
- "mdrun -nb cpu" (to run CPU-only with Verlet scheme)
segmentation fault when starting the actual simulation
(verlet_cpu_only.log verlet_cpu_only.debug)

- "GMX_EMULATE_GPU=1 mdrun -nb gpu" (to run GPU emulation using plain C kernels);
segmentation fault when starting the actual simulation (gpu_emulation.*)

- "mdrun" without any arguments (which will use 2x(n/2 cores + 1 GPU))
segmentation fault when starting the actual simulation (no_arguments.*)

- "mdrun -ntmpi 1" without any other arguments (which will use n cores + the first GPU)
segmentation fault when starting the actual simulation (ntmpi.*)

The working run is without the verlet cut-off scheme (without_verlet_cut_off.*)

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