ERROR: non collinear calculations
Posted: Tue Oct 15, 2013 8:15 am
Dear Vasp users and developers,,
I am trying to calculate the spin-orbit calculations. When i submitted the spin-orbit calculation it is giving error like
ERROR: non collinear calculations require that VASP is compiled
without the flag -DNGXhalf and -DNGZhalf.
I checked previous mails regarding this i found that
"Please re-compile VASP without these precompiler-options (-DNGZhalf, or -DNGXhalf)" Then i recompiled without -DNGZhalf, or -DNGXhal.
earlier compilation is with
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \
# -DRPROMU_DGEMV -DRACCMU_DGEM
after that i removed -DNGXhalf and compiles
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DG
it compiled without any error, and the calculation is running fine. Is this the way that i am following is correct.
I am trying to calculate the spin-orbit calculations. When i submitted the spin-orbit calculation it is giving error like
ERROR: non collinear calculations require that VASP is compiled
without the flag -DNGXhalf and -DNGZhalf.
I checked previous mails regarding this i found that
"Please re-compile VASP without these precompiler-options (-DNGZhalf, or -DNGXhalf)" Then i recompiled without -DNGZhalf, or -DNGXhal.
earlier compilation is with
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \
# -DRPROMU_DGEMV -DRACCMU_DGEM
after that i removed -DNGXhalf and compiles
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DG
it compiled without any error, and the calculation is running fine. Is this the way that i am following is correct.