Hi,
I've installed on a new machine MMPBSA.py.MPI as per tutorial 3A instructions.
The serial tests run smoothly without error messages. The parallel implementation of the program gives the following errors
Any ideas?
Many thanks
George
g:mmpbsa_py george1$ make test
cd 01_Generalized_Born && ./Run.GB
cat: FINAL_RESULTS_MMPBSA.dat: No such file or directory
diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
file ddtmp.FINAL_RESULTS_MMPBSA.dat is short
PASSED
rm: FINAL_RESULTS_MMPBSA.dat: No such file or directory
==============================================================
cd 02_Poisson_Boltzmann && ./Run.PB
cat: FINAL_RESULTS_MMPBSA.dat: No such file or directory
diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
file ddtmp.FINAL_RESULTS_MMPBSA.dat is short
PASSED
rm: FINAL_RESULTS_MMPBSA.dat: No such file or directory
==============================================================
cd 03_Alanine_Scanning && ./Run.ALA
cat: FINAL_RESULTS_MMPBSA.dat: No such file or directory
diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
file ddtmp.FINAL_RESULTS_MMPBSA.dat is short
PASSED
rm: FINAL_RESULTS_MMPBSA.dat: No such file or directory
==============================================================
Mutant mdcrd can only be checked in serial
cd 04_Per_Residue_Decomp && ./Run.PerRes
cat: FINAL_RESULTS_MMPBSA.dat: No such file or directory
diffing ../01_Generalized_Born/FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
file ddtmp.FINAL_RESULTS_MMPBSA.dat is short
PASSED
rm: FINAL_RESULTS_MMPBSA.dat: No such file or directory
==============================================================
diffing FINAL_DECOMP_MMPBSA.dat.save with FINAL_DECOMP_MMPBSA.dat
PASSED
==============================================================
cd 05_Pairwise_Decomp && ./Run.Pairwise
cat: FINAL_RESULTS_MMPBSA.dat: No such file or directory
diffing ../01_Generalized_Born/FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
file ddtmp.FINAL_RESULTS_MMPBSA.dat is short
PASSED
rm: FINAL_RESULTS_MMPBSA.dat: No such file or directory
==============================================================
diffing FINAL_DECOMP_MMPBSA.dat.save with FINAL_DECOMP_MMPBSA.dat
PASSED
==============================================================
cd 06_NAB_Nmode && ./Run.nmode
diffing FINAL_RESULTS_MMPBSA.dat.save with FINAL_RESULTS_MMPBSA.dat
possible FAILURE: check FINAL_RESULTS_MMPBSA.dat.dif
==============================================================
cd 07_Comprehensive && ./Run.comprehensive
diffing FINAL_RESULTS_MMPBSA_1.dat.save with FINAL_RESULTS_MMPBSA_1.dat
possible FAILURE: check FINAL_RESULTS_MMPBSA_1.dat.dif
==============================================================
diffing FINAL_RESULTS_MMPBSA_2.dat.save with FINAL_RESULTS_MMPBSA_2.dat
possible FAILURE: check FINAL_RESULTS_MMPBSA_2.dat.dif
==============================================================
diffing FINAL_DECOMP_MMPBSA.dat.save with FINAL_DECOMP_MMPBSA.dat
PASSED
==============================================================
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 21 2010 - 08:00:02 PST
