installation of gamma only version

Questions regarding compilation of VASP on various platforms.

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installation of gamma only version

Postby ljzhang123 » Tue Oct 13, 2015 3:06 pm

Dear vaspers
i use icc ifort mkl-blas mkl-fft3d compiled the general parallel version, that seems fast and stable, but when i use the same libraries and settings compile the gamma_only version, the SCF calculation will appear the error BRMIX: very serious problems old charge density I find that if i use the default FFT3d the problem could be solved, however the calculation rates seems not so far,and sometimes warning appear when the IALGO was set as 48. how could i do to improve the efficiency and ensure the stability at the same time
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