hello, I have installed the most recent version of xplor (2.27) on a 64bit Ubuntu 10.10 system running on an Intel i5core 460M processor. I have 2cores and 4 threads to work with for running my jobs in parallel (each thread 2.53GHz)l. When I use the command "xplor -smp # xplorscript.inp -o xplorscript.out" (no quotes) I don't see an improvement in my run time. The command gets all the threads to fire with no error messages but I am not seeing an improvement over running just 1 thread at a time. I have been testing my installation with the the anneal.inp example found in /eginput/protG. For 1 and 2 threads (-smp 1 or 2) the run time is about 2.5min for all 4 threads (-smp 4) the runtime is about 6min. It appears that each processor is working on each structure rather than each processor working on a different calculation. When the job is complete I have redundant .pdb files for each calculation.
thanks, matt
