Dear Amber Developers,
Some Amber Fortran subroutines have outdated pieces of code incompatible
with the Fortran 2003 standards.
For example, several Fortran modules use the function “isnan”. According
to the comments in the Fortran modules, “isnan is not standard, but GNU
doesn't support Fortran 2003's ieee_arithmetic until version 5.”
The current versions of GNU compilers are more compatible with the
Fortran 2003 standards and a standard function “ieee_is_nan” can be
used. At the same time, some strict Fortran compilers do not support the
non-standard “isnan” function, so each time one needs to patch each
Amber distribution again and again with the #ifdef … #endif statements.
Could you consider introducing some changes to the Amber Fortran code to
make it more standard? The suggested changes to the code are summarized
in the attached patch file.
Regards,
Dr. V. Vassiliev
NCI, ANU, Canberra
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Received on Thu Aug 29 2024 - 17:00:01 PDT
