libifcoremt.so.5 0000149A75132E79 for__io_return Unknown Unknownlibifcoremt.so.5 0000149A751A31C2 for_write_seq_fmt Unknown Unknown libifcoremt.so.5 0000149A7519F77D for_write_seq_fmt Unknown Unknown sander.MPI 00000000005DA130 prntmd_ Unknown Unknown sander.MPI 00000000005A48DC runmd_ Unknown Unknown sander.MPI 000000000053EB78 sander_ Unknown Unknown sander.MPI 000000000052CDDD MAIN__ Unknown Unknown sander.MPI 0000000000478EC2 main Unknown Unknown libc-2.28.so 0000149A740D8D85 __libc_start_main Unknown Unknown sander.MPI 0000000000478DCE _start Unknown Unknown =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 3878442 RUNNING AT submit01 = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 2 PID 3878443 RUNNING AT submit01 = KILLED BY SIGNAL: 9 (Killed) =================================================================================== =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 3 PID 3878444 RUNNING AT submit01 = KILLED BY SIGNAL: 9 (Killed)======================================================================================================================================================================= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES= RANK 4 PID 3878445 RUNNING AT submit01= KILLED BY SIGNAL: 9 (Killed)======================================================================================================================================================================= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES= RANK 5 PID 3878446 RUNNING AT submit01= KILLED BY SIGNAL: 9 (Killed)======================================================================================================================================================================= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES= RANK 6 PID 3878447 RUNNING AT submit01= KILLED BY SIGNAL: 9 (Killed)======================================================================================================================================================================= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES= RANK 7 PID 3878448 RUNNING AT submit01= KILLED BY SIGNAL: 9 (Killed)===================================================================================
I got this message after running a command but the files were still created, what do I do?
From: He, Amy <he.1768.buckeyemail.osu.edu>
Sent: Tuesday, February 20, 2024 4:06 PM
To: Godbole, Shivani <ssg5401.psu.edu>; AMBER Mailing List <amber.ambermd.org>
Subject: Re: Insufficient frames generated
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Hi,
If the calculations ended normally, the number of frames should be equal to “nstlim” / “ntwx” in the MD input file. To get more frames, consider increasing the length of the simulation (“nstlim”) or reducing the intervals “ntwx” to write more frequently :)
--
Amy He
Hadad Lab . OSU
He.1768.osu.edu<mailto:
He.1768.osu.edu>
From: Godbole, Shivani via AMBER <amber.ambermd.org<mailto:amber.ambermd.org>>
Date: Tuesday, February 20, 2024 at 11:03 AM
To: amber.ambermd.org<mailto:amber.ambermd.org> <amber.ambermd.org<mailto:amber.ambermd.org>>
Subject: [AMBER] Insufficient frames generated
Hello,
I'm using the AMBER18 package to run Constant pH MD simulations and have been following the tutorial but after running all the simulations, the trajectory file that was generated was only 15 frames and I need atleast 200 frames for the movie file for my experiment. I was wondering how I can fix this issue? Than k you!
Shivani Sujay Godbole
Biomedical Sciences
Penn State College of Medicine
Shivani Sujay Godbole
Biomedical Sciences
Penn State College of Medicine
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Received on Wed Feb 21 2024 - 07:30:02 PST
