UT theoretical chemistry code forum

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

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?

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

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