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
installation of gamma only version
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ljzhang123
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support_vasp
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Re: installation of gamma only version
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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