Problem when compiling vasp4.6.26 pararell-Gamma-only

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aqua
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Problem when compiling vasp4.6.26 pararell-Gamma-only

#1 Post by aqua » Thu Jun 23, 2005 7:07 am

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 ....
Last edited by aqua on Thu Jun 23, 2005 7:07 am, edited 1 time in total.

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Problem when compiling vasp4.6.26 pararell-Gamma-only

#2 Post by admin » Fri Jun 24, 2005 11:29 am

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.
Last edited by admin on Fri Jun 24, 2005 11:29 am, edited 1 time in total.

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