Nvidia compiler: Gly12 input reading fails due to Windows newline characters

[merzlab]

QUICK fails to read gly12 input file (https://github.com/merzlab/QUICK-tests/blob/master/inputs/gly12.in) when compiled with NVIDIA compilers. The following error message is thrown.

Warning: ieee_inexact is signaling
Error in inp file!

QUICK version: v21.03, all executables
Compiler: NVIDIA-HPC-SDK/nvcompilers/2020 (20.9-0)
System: Centos 7, 3.10.0-1062.4.1.el7.x86_64
CPU: Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz
Memory: 256 GB

[ohearnk]

Presumably, this gly12 input is close to the original file used for reporting this issue (with the appropriate basis set substituted in the input).

The underlying issue here is that this input file is using Windows newline characters (\r\n) as opposed to Unix newline characters (\n). This implies that QUICK does not correctly handle Windows newline characters in input files when built using the PGI/NVHPC compilers (and possibly others).

To confirm this, convert the Windows newlines to Unix newlines using something like dos2unix. After doing this, QUICK runs fine when built using the work in #409 for gly12 using the STO-3G basis set.

More concerningly, the QUICK code needs to be further analyzed to determine where the extra carriage feed character ends up (i.e., hopefully not as a byte included in numeric values).

Related: #406, #408.