Hello,
My institute is planning to buy one high-perfornace-computer with
multiple nodes (at this moment we don't know what will be coming).
However, we need to give the requirement for compilers/libraries for
running AMBER.
We have AMBER 8 now - may get AMBER 9 afterwards. I can think of the
following things:
C,C++, fortran 90 compilers are must (also for intel compilers, 'mkl' is
preferred). Also, we need MPICH.
Can anyone help me if I need any other special library for better
performance (for both AMBER 8 and AMBER 9), which may not come as default?
Also is any specific hardware component recommended for optimal performance?
I understand that the answers may depend on the OS and the system- but any
general suggestion would be very helpful.
thanks,
Pradipta
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Received on Wed May 17 2006 - 06:07:05 PDT
