I am trying to build the latest release of VASP-5.4.1 with SGI MPT which is highly optimized for the IB interconnect on SGI HPC clusters. I used the makefile.include.linux_intel model and added -I$(MPI_ROOT)/include to the FC definition and changed the BLACKS pointer to -lmkl_blacs_sgimpt_lp64. VASP builds completely so the needed MPI include files are found but they much be incorrect versions. When I run the executables they fail with the following error:
...........
51 POSCAR, INCAR and KPOINTS ok, starting setup
52 WARNING: small aliasing (wrap around) errors must be expected
53 FFT: planning ...
54 WAVECAR not read
55 MPT: This application was not compiled with a mpi.h or mpif.h header file from
56 SGI's MPT MPI implementation.
Can you tell me where in the build, I need to change the MPI include file locations?
VASP-5.4.1 with SGI MPT
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jfredin
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Re: VASP-5.4.1 with SGI MPT
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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VASP