[gmx-developers] The equestion on the implement of thread parallel in gromacs 4.5+

Yorquant Wang wangykoo at gmail.com
Tue May 1 17:34:50 CEST 2012


Hi all:
    I recently want to add some myself pull code in the gromacs4.5.4
kernel. When I read the gmx's scoure code I am confused by how GMX4.5
realize its parallel. I know GMX4.5 can do   multi-thread parallel
computation in one nodes without using external MPI. But  I don't know if
gmx4.5 still has to use some inner MPI libraries, for example some thread-MPI
library which provides a multithreaded MPI implementation or it just gets
access to shared memory directly  for data exchanging. Is there anyone who
can give me some instruction? Thank you so much.

best wishes

Yorquant .Wang
ShangHai Jiaotong University
ShangHai China
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