Optimum values for DCACHE_SIZE and DMPI_BLOCK value

[shaldar]

Dear vasp master,

I have some query regarding parallel compilation of VASP 5.2 on our Intell Xeon cluster
I am using the following compiler and library to compile.
OS : fc12.x86_64
Intel ifort 11.0.83
Openmpi 1.4.3
MKL Library 10.1.2.024 and FFTW library from Intel.
The system was Intel Xeon X5570 @ 2.93GHz with cache size : 8192 KB
Connectivity in between nodes through infiniband

My query is what will be the optimal DCACHE_SIZE and DMPI_BLOCK values for the compilation. And also for other system architecture how to decide the optimum values of the above two variables.

Thanks in advance .......

[admin]

please make benchmark tests to determine the optimum values
for your system and applications. The values set in the makefiles
are suggesttions which work well usually

[Gu Chenjie]

[quote="shaldar"]Dear vasp master,

I have some query regarding parallel compilation of VASP 5.2 on our Intell Xeon cluster
I am using the following compiler and library to compile.
OS : fc12.x86_64
Intel ifort 11.0.83
Openmpi 1.4.3
MKL Library 10.1.2.024 and FFTW library from Intel.
The system was Intel Xeon X5570 @ 2.93GHz with cache size : 8192 KB
Connectivity in between nodes through infiniband

My query is what will be the optimal DCACHE_SIZE and DMPI_BLOCK values for the compilation. And also for other system architecture how to decide the optimum values of the above two variables.

Thanks in advance ....... [/quote]

Hi, I am a new user of VASP, and it seems that we have the similar hard ware configuration, however, now the VASP does not run very well on my cluster, Once I run the VASP on more than two nodes, it crashed. So could you share your makefile with me? Thanks a lot....

[admin]

this rather indicates an error in the installation/setup of your local MPI, the combination Intel Compiler /Openmpi is a very stable one, if you use the standard makefiles for the Intel compiler