VTST 2.04b-VASP5.2.12 compiling error

[kevinnus]

Dear All,

I tried compiling VTST (2.04b) with VASP5.2.12 on our cluster (Centos, openmpi, ifort, and mkl), but failed with below error information:

chain.F(531): error #6460: This is not a field name that is defined in the encompassing structure. [MPMD_CLIENT_RANK]
mpmd_client_rank = comm_chain%mpmd_client_rank
--------------------------------------^
compilation aborted for chain.f90 (code 1)
make: *** [chain.o] Error 1

Could you please help to look into this problem and give me some suggestions?

Thank you very much.

Kevin

[chill]

Hello Kevin,

This part of the code should only compiled if you have set the preprocessor flag VASP_MPMD in your makefile, which is not set by default. Perhaps you could post the makefile you used?

[kevinnus]

Dear Chill,

Thank you very much for the helpful suggestions.

You are right that the problem is due to the unfavorable preprocessor flag in the CPP, and I finally complied the code successfully after I removed the flag.

Thanks again.

Best regards,

Kevin

[xfhao1980]

Dear all,

I have encounterred the same problem on the compiling, however, I did not know how to change the makefile, which unfavorable preprocessor flag in the CPP should I delete? Thanks in advanced!

cheers
xianfeng