Dear Amber users and developers,
AmberTools25 tests for rism3d and packmol_memgen aborted with
following message.
(test environment: Rocky Linux 8.10, GCC 13.3.1 (gcc-toolset-13))
==================================================================
cd rism3d/ala && ./Run.ala
At line 1037 of file /*****/ambertools25_src/AmberTools/src/rism/
amber_rism_interface.F90 (unit = 6, file = 'ala.np0.out')
Fortran runtime error: Missing comma between descriptors
(5x, 2(a15, "=", l5), 1(a19 "=", l5))
...
running immers / ppm
At line 486 of file
/******/ambertools25_src/AmberTools/src/packmol_memgen/packmol_memgen/lib/ppm3/opm.f
(unit = 6, file = 'stdout')
Fortran runtime error: Missing comma between descriptors
(a10,1x,'emin=',f8.1,' thickn=',f5.1, '+-',f4.1,' tilt=',f7.0'+-
==================================================================
There are actually errors in format strings.
For amber_rism_interface.F90:1034, comma is missing after "a19".
For opm.f:485, comma is missing after "f7.0".
This error also happens for binary version (dacase::ambertools-dac=25).
Could you please fix this?
And one question.
We have previously obtained computing center license of Amber24.
How do we get pmemd24.tar.bz2?
Do we need to order another license?
Tentatively, we tried to put Amber24 source code (amber24_src/src)
into ambertools25_src and built them all at once.
Fortunately, it worked.
If this conventional way continues to be supported, there is no problem.
Best regards,
--
Motoshi Kamiya
Research Center for Computational Science,
National Institutes of Natural Sciences, Japan
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Received on Mon May 19 2025 - 01:00:02 PDT
