VASP 6.5.1 tarball appears incomplete — missing parser/lib files, causing build failures (Intel oneAPI 2025)

[premkumar_selvarajan1]

Dear VASP Support Team,

I am experiencing significant issues while installing VASP 6.5.1 on our HPC cluster.
It appears that the source tarball (vasp.6.5.1.tgz file from ) downloaded from the VASP portal is incomplete, especially in the folders:

src/parser/

src/lib/

These folders contain fewer files than expected, causing consistent build failures.

1. Tarball Extraction Problem

The official VASP documentation indicates:

src/lib should contain 18–25 files

src/parser should contain 40–50 files

However, after extracting my downloaded tarball, I find:

src/lib/ = 32 files (more than expected)
src/parser/ ≈ 15 files (much fewer than expected)

This strongly suggests that the archive is incomplete or corrupted.

When I check via:

tar -tzf vasp.6.5.1.tgz | grep 'src/parser' | wc -l

the result is only 15, while the expected count is ~40–50.

2. Build Failures Due to Missing Parser Files

During the make process, VASP fails with errors such as:

D: No such file or directory
parser compilation errors
missing object files in build directories

These errors are consistent with missing source files in the src/parser/ directory.

3. Additional Symptom: MPI Smoke Test Failure

When running the standard Fortran MPI test:

mpif90 mpi_test.f90

I get:

f951: Error: Unexpected end of file

This error appears even with the exact test code from the VASP wiki.

4. System Configuration

Our HPC setup:

CPU: AMD EPYC 7xx2 series

OS: Rocky Linux 9.4

Compiler: Intel oneAPI LLVM-based compiler 2025.2.0 (ifx)

MPI: Intel MPI 2021.16

Math Libraries: Intel MKL 2025.2

Scheduler: SLURM 23.x

Modules used:

module purge
module load compiler-intel-llvm/2025.2.0
module load mpi/2021.16
module load mkl/2025.2

Could you please Verify whether my tar archive is incomplete or corrupted?

Confirm the expected number of files in:

src/parser/

src/lib/

Clarify whether any files were moved, renamed, or separated in VASP 6.5.1.

Provide guidance on how to re-download or obtain a correct archive.

Thank you very much for your assistance.
I look forward to your guidance.

Best regards,
Premkumar

[jonathan_lahnsteiner2]

Dear Premkumar,

1) To my knowledge it is not mentioned in the VASP documentation that src/lib should contain 18–25 files and src/parser should contain 40–50 files. The folder src/lib contains 32 files and src/parser contains 16 files in the VASP 6.5.1 tar ball. If we do mention this on the official VASP pages please supply the link so that we can look into this.

Code: Select all

ls ./src/lib | wc -l
ls ./src/parser/ | wc -l

2) These are not error messages generated by a compiler

Code: Select all

No such file or directory
parser compilation errors
missing object files in build directories

Please supply the real error messages the compiler is writing to your screen. Otherwise it is not possible to help you with this part of your question.
3)To my knowledge there is no MPI standard test shipped with the VASP source code. Also on the VASP wiki we do not supply a file named mpi_test.f90. So I am not sure what your MPI Smoke Test Failure means. If it is mentioned somewhere on the official VASP pages, could you please share the link with me. Then I can investigate this point further.

The tar archive can be found in the VASP portal under the following link:
https://www.vasp.at/sign_in/portal/
You can log in with your VASP user name and the corresponding password then obtain a new tar ball.
I just downloaded the VASP 6.5.1 tar ball from the portal and compiled it with 2022.0.1_mkl-2022.0.1_impi-2021.5.0 and everything works fine.

I hope this will help you to resolve your issues.

All the best Jonathan