compilation aborted for pw_methods.F90 (code 1)

[Luca]

Dear all

I am trying to install cp2k-2024.1 using gcc10.3 and Intelmpi-2018 (or 2020) compilers, Unfortunately, I get the error:

 cp2k-2024.1/src/pw/pw_methods.F(1678): error #6752: Since the OpenMP* DEFAULT(NONE) clause applies, the PRIVATE, SHARED, REDUCTION, FIRSTPRIVATE, or LASTPRIVATE attribute must be explicitly specified for every variable.   [NGPTS]

            DO gpt = 1, ngpts
------------------------^
cp2k-2024.1/src/pw/pw_methods.F(1687): error #6752: Since the OpenMP* DEFAULT(NONE) clause applies, the PRIVATE, SHARED, REDUCTION, FIRSTPRIVATE, or LASTPRIVATE attribute must be explicitly specified for every variable.   [NGPTS]
            DO gpt = 1, ngpts
------------------------^
compilation aborted for pw_methods.F90 (code 1)
make[3]: *** [pw_methods.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 2

Could you please help to overcome this issue?

Bets Regards.

Luca

[Frederick Stein]

Dear Luca,

Technically, this is a compiler bug (shortcuts arising from external associate constructs are shared). What you can do locally is to add the variable to the SHARED clause. Considering your compilers (considering the error message, the Intel compilers are employed), you should employ a more recent compiler if available.

Best,

Frederick

[Johann Pototschnig]

This looks like:

https://groups.google.com/g/cp2k/c/FuFF_BROux4/m/Kcfmg03jpbYJ

https://github.com/cp2k/cp2k/commit/5d7e5d7280dffbbe4e568d00ed6d11cbb54609c3

[Luca]

Dear Frederick

thank you for your reply.

I followed your advice, however, now there is a new issue :

cp2k-2024.1/src/motion/mc/mc_types.F(528): error #6795: The target must be of the same type and kind type parameters as the pointer.   [MC_INPUT_FILE]
      IF (PRESENT(mc_input_file)) mc_input_file => mc_par%mc_input_file
----------------------------------^
cp2k-2024.1/src/motion/mc/mc_types.F(750): error #6795: The target must be of the same type and kind type parameters as the pointer.   [MC_INPUT_FILE]
      IF (PRESENT(mc_input_file)) mc_par%mc_input_file => mc_input_file
-----------------------------------------^
/cp2k-2024.1/src/motion/mc/mc_types.F(142): error #6404: This name does not have a type, and must have an explicit type.   [MC_INPUT_FILE]
         mc_input_file => NULL(), mc_bias_file => NULL()
---------^
compilation aborted for mc_types.F90 (code 1)
make[3]: *** [mc_types.o] Error 1

make[3]: *** Waiting for unfinished jobs....

Could you please help ? Is this easily fixable like before? 

Best regards.

Luca 

[Frederick Stein]

Dear Luca,

I do not know what the compiler does in your case. To me, it seems like a bug. Which compiler version do you use? We are currently testing 22.2 and OneAPI 2024.1.

Best regards,

Frederick

[Luca]

Dear Frederick

Thank you again for your prompt reply. Unfortunately, I only have access to older versions of the Intel compiler than those you mentioned. 

I will try to compile the code without Intel support.

Best Regards.

Luca