mpirun -np 8 cpmd.x cpmd.inp /local/GRS/PROGRAMS_ARCHIVE/CPMD/PP > cpmd.out &
mpdboot -r ssh --totalnumber=4
mpdtrace
mpirun -r ssh -np 24 cpmd.x heating.inp /local/GRS/PROGRAMS_ARCHIVE/CPMD/PP > heating.out &
load WAVEFUNCTION.152.cube; isosurface posname 0.05
"WAVEFUNCTION.152.cube"; isosurface negname -0.05
"WAVEFUNCTION.152.cube"
cpmd2cube.x -halfmesh -psi WAVEFUNCTION.*
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