Re: [QE-users] qe-6.4.1-qmcpack vs qe-6.7 Performace?

2021-02-16 Thread Paolo Giannozzi
A change in the distribution of plane waves for parallel FFT, aimed towards increasing the scalability, may cause an increase of the execution time under usual conditions (the default behavior has been reverted to the previous one in the development version, though). Some other changes in the

[QE-users] qe-6.4.1-qmcpack vs qe-6.7 Performace?

2021-02-15 Thread Stephen Zhang
Hi Everyone, I'm currently using both the latest qe-6.7 and qe-6.4.1 qmcpack in my school computing HPC cluster and i've noticed that qe-6.4.1-qmcpack's version of pw.x is several times faster than qe-6.7 when performing scf and nscf runs. Both were configured for parallel runs using openmpi.