On Mon, May 19, 2025, Motoshi Kamiya via AMBER wrote:
>
>
>==================================================================
>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 the compiled version, you can simply edit the lines listed above. I've
submitted a merge request in our development version.
The fact that you see these problems where others do not may be related to
the libc version you have in your distro. Could you do the following:
activate your conda environment for ambertools-dac, cd to $CONDA_PREFIX/bin,
and try the command "ldd sander | grep libc"? I'd be interested to know if
the runtime error is simply from a more recent version of some library like
libc that is pickier about Fortran format strings.
>We have previously obtained computing center license of Amber24.
>How do we get pmemd24.tar.bz2?
If you re-download Amber24, using the same credentials, you should now get
pmemd24.tar.bz2. You then un-tar that (into a pmemd24_src folder) and
follow the newer instructions. Since you have already done things the "old"
way, this may not be needed.
....regards...dac
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Received on Thu May 22 2025 - 09:30:07 PDT
