回复： [AMBER] errors of PMEMD installation

From: 廖青华 <fantastic_0919.yahoo.com.cn>
Date: Fri, 24 Jul 2009 02:27:51 +0100

Dear Mengjuei,

Firstly, thanks for your reply!

The parallel version of amber10 has been installed successfully, and it runs correctly. When install PMEMD, what I do is just following the installation guide.

first, run ./configure -help to get the information of the operating sytem and other things.
second, run ./configure linux_em64t ifort lam to get the file config.h
finally, run make install, but what I got were those errors I showed in the last mail.

By the way, the hardware of our computer is 64, but the operating system of linux is 32, and also the intel compiler of ifort is 32. Did this result in this error?

Thanks very much!

Qinghua Liao 





________________________________
发件人： Mengjuei Hsieh <mjhsieh.gmail.com>
收件人： AMBER Mailing List <amber.ambermd.org>
已发送： 2009/7/24(周五), 上午3:25:27
主题： Re: [AMBER] errors of PMEMD installation

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? 

-- 
Mengjuei
On Wed, Jul 22, 2009 at 7:28 AM, 廖青华<fantastic_0919.yahoo.com.cn> 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 http://archive.ambermd.org/200907/0158.html. 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 Fri Jul 24 2009 - 01:07:13 PDT
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