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Re: Reading DCD trajectory using MPI CHARMM
shane yue
#38115
11/01/20
05:20 PM
Joined:
Sep 2003
Posts: 4,810
Likes: 2
~ 59N, 15E
lennart
Forum Member
lennart
Forum Member
Joined:
Sep 2003
Posts: 4,810
Likes: 2
~ 59N, 15E
A single-CPU CHARMM job should read and process a dynamics trajectory irrespective of how it was compiled. Most tracjectory processing in CHARMM does not work in parallel.
Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
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Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
04:34 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/01/20
05:20 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
05:32 PM
Re: Reading DCD trajectory using MPI CHARMM
rmv
11/01/20
05:26 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
08:24 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/02/20
10:20 AM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/02/20
03:09 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/02/20
08:32 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/02/20
09:24 PM
Re: Reading DCD trajectory using MPI CHARMM
rmv
11/01/20
08:45 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
09:03 PM
Moderated by
lennart
,
rmv
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