Dear Amber users,
I am trying to install the patch update.9 of AMBER2020 to execute LiGamD using pmemd.cuda. However after check avaible udpates d ./update_amber --check-updates and perform the update I am getting the error PatchingError: .patches/AmberTools20_Unapplied_Patches/update.13 failed to apply. No changes made from this patch
here all the output :
$ ./update_amber --check-updates
Checking for available patches online. This may take a few seconds...
Available AmberTools 20 patches:
update.13 (modifies pmemd.cuda, other, cuda, codes)
Released on January 4, 2021 (written by David Case)
Description:
Adds support for CUDA SDK 11.1 for both CMake and legacy builds
update.14 (modifies none)
Released on January 8, 2021 (written by Jeremy Leung)
Description:
Updated ff15ipq-m force field files.
update.15 (modifies configure2)
Released on January 19,2021 (written by S. Schott Verdugo, C. Pfleger)
Description:
Fixed compilation typo with CUDA 11 and Ampere
Available Amber 20 patches:
update.7 (modifies pmemd.MPI)
Description:
Fixes an error in MBAR output for pmemd.MPI
update.8 (modifies pmemd.cuda)
Description:
This bugfix addresses a tabulation error that can occur with
CMAPs in small globular proteins or larger systems. The error
would manifest itself as a race condition after which some
bonded interactions would diverge from their correct values,
rapidly causing the simulation to crash. The behavior is
corrected by properly accounting for the number of unique
atoms in each bond work unit's import group.
update.9 (modifies pmemd.cuda)
Description:
Fixes a bug in LiGaMD & Pep-GaMD in pmemd.cuda
update.10 (modifies pmemd)
Description:
update defintion of mask27 variable to support gfortran10
$ ./update_amber --update
Preparing to apply updates... please wait.
Applying AmberTools 20/update.13
PatchingError: .patches/AmberTools20_Unapplied_Patches/update.13 failed to apply. No changes made from this patch
I would like to know if anybody knows how to fix this mistake.
Best Regards,
David
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 21 2021 - 15:30:02 PDT
