On Mon, Jun 07, 2010, Steve Seibold wrote:
> This is my first time compiling AMBER. I followed the instructions
> found in AMBER11 manual and as suggested I first compiled the 'serial'
> version. After running the 'test' it was reported that I had 15 failures
> and 1 error shown below: The error was called a "Syntax error".
You should report which OS and compiler you are using. But I'm guessing
you have a machine with gcc 4.1.2. This compiler will lead to failures if
you use the "abmd" functionality, but should be OK otherwise.
>
> But, I am not sure if I should move to MPI
> compilation or not.
You should only proceed to MPI if you know you need parallel capabilities,
i.e. if you are planning to run long caclualtions, and have access to parallel
computing facilities. New users of Amber should use the serial version to
gain familiarity with the program, and only go on to parallel computation when
you know it is needed, and you have some understanding of how everything
works.
....dac
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Received on Mon Jun 07 2010 - 06:00:15 PDT
