[AMBER-Developers] more on Scott's problems with pmemd

From: David A Case <david.case.rutgers.edu>
Date: Tue, 8 Mar 2022 09:02:22 -0500

An update: we are (at least nominally) checking for a minimum version
of gcc/gfortran in VerifyCompilerConfig.cmake:

# check minimum GNU compiler versions:
     if (CMAKE_CXX_COMPILER_VERSION VERSION_LESS 6.0)
         message("-- Amber requires at least gcc-6.0")
         message(FATAL_ERROR "See https://ambermd.org/Installation.php for more info")
     endif()
     if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 6.0)
         message("-- Amber requires at least gfortran-6.0")
         message(FATAL_ERROR "See https://ambermd.org/Installation.php for more info")
     endif()


So the question is this: why is Scott seeing a "silent error" when he runs
with g++/gfortran 5.4.0? Does he somehow have outdated code? (Scott: are
you using Amber20?) Or is VerifyCompilerConfig.cmake not getting called, or
not failing with a useful error message, as above?

Some volunteer could check the latter possibility: try configuring on a
machine with an ancient GNU compiler, and see what happens.

....dac

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Received on Tue Mar 08 2022 - 06:30:02 PST
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