Compiling VASP

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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norge_cruzhernandez1
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Compiling VASP

#1 Post by norge_cruzhernandez1 » Tue Nov 16, 2021 10:23 am

Hi,

I am compiling vasp.6.2.1 by using Intel compiler.

$> mpiifort -V
Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 14.0.2.144 Build 20140120
Copyright (C) 1985-2014 Intel Corporation. All rights reserved.

I am using makefile.include.linux_intel_omp, i.e.
$> cp arch/makefile.include.linux_intel_omp makefile.include
$> make all

And, I obtained the error:
incar_reader.F(99): error #6263: This intrinsic function is invalid in constant expressions. [NEW_LINE]
end_line = new_line('n'), end_inline = ";", &
-------------------^
compilation aborted for incar_reader.f90 (code 1)
make[2]: *** [incar_reader.o] Error 1

So, what can I do?
Norge

henrique_miranda
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Re: Compiling VASP

#2 Post by henrique_miranda » Tue Nov 16, 2021 9:56 pm

You are using a rather old version of intel Fortran that is no longer part of our test farm.
First of all, I would recommend updating to a more recent version of the compiler if possible.

I don't have an easy way to test this quickly but you can try replacing new_line('n') by achar(10).
If that does not work (which is likely) I would recommend replacing all the occurrences of 'end_line' by 'new_line('n')' in the incar_reader.F file.

If you use the vim editor this command should do the trick:
:s/end_line/new_line('n')/g

Don't forget to remove the definition 'end_line = new_line('n')'

Please let me know if this solves the issue.

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