[Dock-fans] dockdif error

[John J. Irwin]

Hi -

This is not enough information. Please send the .dif file to me (NOT the 
list) and we will take a look.

John
UCSF DOCK Team


snoze pa wrote:
> 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 <http://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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