[Dock-fans] dockdif error
snoze pa
snoze.pa at gmail.com
Thu Mar 13 12:49:03 PDT 2008
Dear Dockers,
I am able to run the mpi but the dockdif is not working. Do i need to
modify the dockdif file in test dir. Please find the log of the test run
below.
thanks
s
# Compute scoring grids
../../../bin/grid -i grid.in -o grid.out
../dockdif grid.out.save grid.out
diffing grid.out.save with grid.out
PASSED
==============================================================
make[4]: Leaving directory
`/home/Desktop/dock6/install/test/grid_generation'
make[3]: Leaving directory `/home/Desktop/dock6/install/test/mpi'
make[3]: Entering directory `/home/Desktop/dock6/install/test/mpi'
Processing test mpi
/home/Desktop/mpich//bin/mpirun -np 4 ../../../bin/dock6.mpi -i mpi.dockin-o
mpi.dockmpiout
../dockdif -t 8 mpi.dockmpiout.save mpi.dockmpiout
diffing mpi.dockmpiout.save with mpi.dockmpiout
possible FAILURE: check mpi.dockmpiout.dif
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