Thank you for the reply. Dr. Roe mention the possible compatibility problem with C++ headers. I tried -nomktpp option but it still fails with the same /usr/include/4.4.7/.... problem.
I did use source iccvars.
I think I will get newer Intel compiler instead. Thank you.
*******************************
Mohd Farid Ismail
Graduate Student
Dept. of Chemistry/Biochemistry
University of Oklahoma
Norman 73019
________________________________________
From: David A Case [case.biomaps.rutgers.edu]
Sent: Tuesday, June 25, 2013 6:39 AM
To: AMBER Mailing List
Subject: Re: [AMBER] Actual Intel Compiler Version Used
On Tue, Jun 25, 2013, Ismail, Mohd F. wrote:
>
> Here is my system specs:
> AMD Opteron Magny-cours 8-core
> CentOS 6.4
> Intel Compiler 11.1 073
>
> What I did:
> unpack AT1.5
> set AMBERHOME
> cd $AMBERHOME
> export PATH="AMBERHOME/bin:$PATH"
> apply patch (patch -p0 -N < bugfix.all)
> cd to $AMBERHOME/AmberTools/src
> ./configure intel
> make serial
You don't say how you configured the intel compilers: did you run the
"iccvars" script (either the .sh or .csh version)? Your error messages show
that the errors are all coming from /usr/include/c++/4.4.7/...., which I am
not sure it what it should be.
But more importantly:
1. There is almost no reason to use the Intel compilers for AmberTools:
configure with gnu instead.
2. AmberTools1.5 is two full revisions and many bugfixes out of date: you
should upgrade to AmberTools13.
You can also add the -nomtkpp flag to configure, which skips the (rather
complex) mtkpp build. But steps 1 and 2 are my best suggestion.
...dac
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Received on Fri Jun 28 2013 - 01:00:03 PDT
