Dear users,
When i perform the calculation of t42 in libxc, which is a test to test the implement of HSE06 functional, everything goes fine with the sequential run. However, when i run the job with mpirun -n nprocs, although the job can run without errors, the results goes very strange. I am wondering there maybe something wrong with the mpi implement in hybrid fuctionals calculations.
i have wrongly posted this topic in the 'proposed code modifcation' section, if there is something unconvinent because of my stupid behavior, i am really sorry.
Sheleon
strange results in hybrid functional calculation with mpi
Moderator: bguster
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Zhang Xiaole
- Posts: 46
- Joined: Thu Sep 15, 2011 7:13 am
strange results in hybrid functional calculation with mpi
Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China
Phys Department
Shanghai JiaoTong university, Shanghai, China