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RMGDFT / rmgdft

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
GNU General Public License v2.0
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Folded spectrum code breaks compilation #34

Closed prckent closed 5 years ago

prckent commented 5 years ago 
.../rmgdft/rmgdft/RMG/Subdiag/FoldedSpectrumIterator.cpp: In function 'void FoldedSpectrumIterator(double*, int, double*, int, double*, doubl\
e, int, int)':
.../rmgdft/rmgdft/RMG/Subdiag/FoldedSpectrumIterator.cpp:85:55: error: 'neg_rone' was not declared in this scope
         custat = cublasDaxpy(ct.cublas_handle, sizr, &neg_rone, T, ione, Y, ione);
                                                       ^~~~~~~~

From master

commit 5565ed4b0eb47a5a7a6df1b95466a0b1c968432a
Author: WenchangLu <wlu2@ncsu.edu>
Date:   Wed Sep 11 12:46:44 2019 -0400

    clean compiling warnings.
elbriggs commented 5 years ago

Fixed GPU_ENABLED case.