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Research Scientist
Date: 2007/03/15 13:50
Name: Jyh-Shyong Ho   <>


polB.c of OpenMX 3.1 has variable "Valence_Electrons" undefined, command

make polB

failed on our IBM P595 and Opteron cluster (with Intel compiler).
On IBM P595, the error message is:
mpcc_r -O3 -q64 -qstrict -I/package/chem/fftw/include -I/package/chem/CLAPACK/include -c polB.c
"polB.c", line 174.80: 1506-045 (S) Undeclared identifier Valence_Electrons.
"polB.c", line 182.4: 1506-342 (W) "/*" detected in comment.
make: The error code from the last command is 1.

Here is the part of the code:
if (SpinP_switch==0){ hog2=Valence_Electrons/2; }
else if (SpinP_switch==1){ hog2=Valence_Electrons/2; }
else if (SpinP_switch==3){ hog2=Valence_Electrons;}
There is no definition of Valence_Electrons in any place of the program.
Is this a bug?

Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC
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