installation VASP 6.2.0

[sang-woo_joo1]

I have install all the VASP need in VASP wiki but it always error, can you
help me of this. This is an error
make: icpc: No such file or directory
make: *** Error 127
make: Leaving directory
'/home/hpc-ssu/.local/share/Trash/files/vasp.6.2.0/build/gam/parser'
make: *** Error 2
make: Leaving directory
'/home/hpc-ssu/.local/share/Trash/files/vasp.6.2.0/build/gam/parser'
make: *** Error 2
make: Leaving directory
'/home/hpc-ssu/.local/share/Trash/files/vasp.6.2.0/build/gam'
make: *** Error 2

[manuel_engel1]

Please provide further information according to the Forum Posting Guidelines. In order to assist you, I need at least the makefile.include and the full output of the make/compilation process that contains the error messages.

[sang-woo_joo1]

Please provide further information according to the Forum Posting Guidelines. In order to assist you, I need at least the makefile.include and the full output of the make/compilation process that contains the error messages.

This is a zip file that contain the make.file and error message in terminal

[manuel_engel1]

You are trying to compile VASP using Intel compilers. This includes the Intel C and C++ compilers icc and icpc. The errors you encounter suggest that these compilers do not exist or cannot be found in your environment. This often occurs when you haven't loaded the correct modules on your machine or when your PATH does not point to the correct compiler locations. Please make sure that the Intel compilers can be found during the VASP compilation process. This includes the Intel Fortran compilers used at the later stages of the compilation process.

[sang-woo_joo1]

You are trying to compile VASP using Intel compilers. This includes the Intel C and C++ compilers icc and icpc. The errors you encounter suggest that these compilers do not exist or cannot be found in your environment. This often occurs when you haven't loaded the correct modules on your machine or when your PATH does not point to the correct compiler locations. Please make sure that the Intel compilers can be found during the VASP compilation process. This includes the Intel Fortran compilers used at the later stages of the compilation process.

I have install a oneapi toolkit and add it .bashrc file source path of the complier, but it not still error the same.

Thank you for your help.

[manuel_engel1]

I'm happy to help. However, it is difficult for me to assess what exactly the issue is. Instead of trying to compile VASP, could you please do the following as a test:

In your terminal window, navigate to the VASP root folder (the one that has the makefile and makefile.include in it) and execute the following commands:

Code: Select all

icpc --version
which icpc

The first command invokes the icc compiler and simply prints its version to the console. The second prints the location of the icc compiler. Please, confirm for yourself that this location is indeed correct. If either of these commands fail, then the icc compiler is not found within your environment. In this case, please make sure that you have correctly installed the Intel toolchain and that it is made available to the environment where you compile VASP.

[sang-woo_joo1]

I'm happy to help. However, it is difficult for me to assess what exactly the issue is. Instead of trying to compile VASP, could you please do the following as a test:

In your terminal window, navigate to the VASP root folder (the one that has the makefile and makefile.include in it) and execute the following commands:

Code: Select all

icpc --version
which icpc

The first command invokes the icc compiler and simply prints its version to the console. The second prints the location of the icc compiler. Please, confirm for yourself that this location is indeed correct. If either of these commands fail, then the icc compiler is not found within your environment. In this case, please make sure that you have correctly installed the Intel toolchain and that it is made available to the environment where you compile VASP.

I have do icpc --version and it does not have it, because I have download the latest of oneapi toolkit and it does not include the icpc in the package, I think the lasest of the oneapi toolkit is the problem. I have search for the old version of oneapi toolkit (2022), but it does not available.

Thank you for your help.

[manuel_engel1]

Ah, I see now. We currently do not support direct compilation with the new compilers in the Intel oneAPI. This will be available in upcoming VASP versions. However, if you have access to the older (legacy) Intel compilers, you should be able to compile as usual using the Intel makefile.include. Let me know how it goes.

[sang-woo_joo1]

Ah, I see now. We currently do not support direct compilation with the new compilers in the Intel oneAPI. This will be available in upcoming VASP versions. However, if you have access to the older (legacy) Intel compilers, you should be able to compile as usual using the Intel makefile.include. Let me know how it goes.

I have fixed the file makefile.include and it run successfully.
Thank you for your help.