Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
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ahsan_javed
- Newbie
- Posts: 28
- Joined: Mon Jun 27, 2022 11:37 am
#1
Post
by ahsan_javed » Mon Jan 06, 2025 6:27 pm
The makefile.include for 6.4.3 is used for 6.5.0 and this error popsup, specifically for elphon which is a new feature in this. No this sort of error "mpi.mod" for 6.4.3 but for this particular verison?
mpif90 -ffree-form -ffree-line-length-none -w -ffpe-summary=none -march=native -O2 -I/usr/local/include -I/home/ahsan.javed/data/codes/libxc/include -c elphon_derivative.f90
elphon_derivative.F:566:13:
566 | use mpi, only: MPI_COMM_SELF
| 1
Fatal Error: Cannot read module file ‘mpi.mod’ opened at (1), because it was created by a different version of GNU Fortran
compilation terminated.
make[2]: *** [makefile:195: elphon_derivative.o] Error 1
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andreas.singraber
- Global Moderator
- Posts: 246
- Joined: Mon Apr 26, 2021 7:40 am
#2
Post
by andreas.singraber » Wed Jan 08, 2025 7:56 am
Hello!
Please always use the makefile.include template files from the arch directory of the corresponding version, in particular if problems during compilation occur. Also, in this case the error message of the compiler hints at an old mpi.mod, probably from a previous build of VASP. Could you please run make veryclean before trying to compile again? Please also attach your current makefile.include so we can check the difference to the 6.5.0 version. Thank you!
Best,
Andreas Singraber