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Problem when compiling vasp4.6.26 pararell-Gamma-only

Posted: Thu Jun 23, 2005 7:07 am
by aqua
Dear all,

I compiled pararell vasp4.6.26 with ifc7.1 and mpich 1.2.6. Normal one is successfully compiled. Then, I tried to compile Gamma-only pararell version with the option "-DwNGZhalf". On the process of compilation, the following error message appeared compiling was cancelled.

**********************************************************************
fortcom: Error: pot.f90, line 265: The type of the actual argument
differs from the type of the dummy argument. [DENCOR]
CHTOT,CVTOT,DENCOR)
..............................^

fortcom: Error: pot.f90, line 480: The type of the actual argument
differs from the type of the dummy argument. [DENCOR]
CHTOT,CVTOT,DENCOR)
..............................^
compilation aborted for pot.f90 (code 1)
make: *** [pot.o] Error 1
**********************************************************************

The difference of makefiles between normal pararell one and Gamma-only pararell one is only whether the option "-DwNGZhalf" is included or not.

Do you have any suggestion about the reason for this error message?

Is there any limitation for the option, "-DwNGZhalf"? For example, this option cannot be used with "-DNGZhalf", etc ....

Problem when compiling vasp4.6.26 pararell-Gamma-only

Posted: Fri Jun 24, 2005 11:29 am
by admin
please do not mix up compilation for the Gamma-only version and the full-k-grid version of VASP in one directory, because -DwNGZhalf and DNGZhalf cause different declaration of some variables, like eg. DENCOR:
-DwNGZhalf ---> complex
-DNGZhalf ---> real
if you just add them up, the declaration will be according to the first
precompiler option which appears on the list.