Bug in wave.F if PGI16 not defined (5.4.4)

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Bug in wave.F if PGI16 not defined (5.4.4)

Postby ehermes » Mon Aug 14, 2017 7:04 pm

There appears to be a bug in the wave.F file that occurs when VASP is compiled without defining PGI16 (which I assume is meant only to be used with the Portland Group compilers version 16). Specifically, lines 209, 242, and 263 contain "#ifndef PGI16", whereas line 179 also contains this statement but it is commented out (!#ifndef PGI16). If PGI16 is not defined, then the arrays CPTWFP, CPROJ, and CR are defined to be contiguous pointer arrays, and if PGI16 is defined they are merely pointer arrays. Since the check on line 179 is commented out (along with the continuous pointer array declaration), CPTWFP and CPROJ are always declared to be regular (non-contiguous) pointer arrays regardless of whether PGI16 is defined. This results in a compiler error when using the Intel compilers version 13. Uncommenting lines 179-184 and 187 fixes the issue, and this seems to create a perfectly working executable.
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