Re: [AMBER] errors of PMEMD installation

From: Mengjuei Hsieh <>
Date: Thu, 23 Jul 2009 20:25:27 +0100

Dear Qinghua,

This is very interesting if you are sure that your lammpi was
installed correctly. And no, the suggestion you mentioned previously
is not immediately helpful, since it's for openmpi. Could you tell us
a little more about how did you run the ./configure script?


On Wed, Jul 22, 2009 at 7:28 AM, 廖青华<> wrote:
> Hi amber users,
> I encountered the following errors when installed PMEMD in amber10.The MPI software I use is Lam in amber10, the compiler is intel ifort, and the operating system is Red Hat 5.
> cd src && make install
> make[1]: Entering directory `/usr/local/amber10/src/pmemd/src'
> /lib/cpp -traditional -P  -I/usr/local/amber10/bin/include -DPUBFFT  -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
> ifort -c -auto -tpp7 -xP -ip -O3 pmemd_lib.f90
> fortcom: Error: pmemd_lib.f90, line 111: Cannot open include file 'mpif-common.h'
>       include 'mpif-common.h'
> --------------^
[some log skipped]
>      And I also searched in the amber mailing list, I found the suggestions delivered by Prof. Ross Walker on this website I tried, but it didnot work! Could somebody help me to figure it out? Any response will be highly appreciated?
> Best wishes!
> Qinghua Liao

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Received on Thu Jul 23 2009 - 18:08:10 PDT
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