Dear amber user,
I have a single-cpu (four threads) machine. The serial version of amber10
has been installed well without many errors. Now, I want to build a parral
version.
1. During "make test.parallel.MM", some error was appeared.
1) If I perform DO_PARALLEL "mpirun –np 2", it will appear "this test
case(/opt/amber10/test/PIMD) requires a least 4 mpi threads", it exit this
job test and continue test the other job;
2) while if I perform DO_PARALLEL "mpirun –np 4", it will appear "this
test case (/opt/amber10/test/ncsu/abremd) requires a least 4 mpi threads".
*It seems that different job needs different numbers of thread. *
However, to* *perform sander, you need to select "mpirun –np 2" or "mpirun
–np 4".
So, I want to ask you whether or not these errors appear during test will
influence the calculation result
2. During "make test.parallel.QMMM", one error was appeared:
DFTB SLKO files not found –Skipping Test…..
I don't know how to handle this error. Any suggestion will be appreciated
Thank you for your kindness!
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Received on Wed Sep 10 2008 - 06:07:05 PDT
