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Research Scientist Date: 2007/03/15 13:50 Name: Jyh-Shyong Ho   <c00jsh00@nchc.org.tw> Hi, 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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