Re: [AMBER] Installing Amber

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Sat, 21 Jan 2017 00:58:11 -0500

can you try to follow the instruction here for MacOS?
http://ambermd.org/amber_install.html

Basically:
./configure -macAccelerate clang

PS: IMO, Apply guys make "clang" sounds like GNU compiler.

Hai


On Sat, Jan 21, 2017 at 12:53 AM, Karla Galdamez <kgalda.berkeley.edu>
wrote:

> Hi everyone,
>
> Thank you for your previous response on installing AmberTools. I have
> followed the download on web link you mentioned below.
> http://ambermd.org/AmberTools16-get.html
> Then, I began to follow instructions on installment on pg.23 of Amber 2016
> Reference manual under Sect. 2 Installation.
>
> I have executed the command (4):
> > ./configure --help
> > ./configure gnu
>
> And it looks like everything works well up to lgfortran. I am copying
> below the error listed. Would you have recommendations as to what to do
> next? - do you have a recommendation as to where to download lgfortran
> libraries for Mac OS? - Thank You!
>
> Testing the g++ compiler:
> g++ -fPIC -o testp testp.cpp
> OK
>
> Testing the gfortran compiler:
> gfortran -fPIC -O0 -o testp testp.f
> OK
>
> Testing mixed C/Fortran compilation:
> gcc -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o
> testp.c
> gfortran -fPIC -O0 -c -o testp.f.o testp.f
> gcc -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
> testp.c.o testp.f.o -lgfortran -w
> ld: library not found for -lgfortran
> clang: error: linker command failed with exit code 1 (use -v to see
> invocation)
> ./configure2: line 2348: ./testp: No such file or directory
> Error: Unable to compile mixed C/Fortran code.
> Please check your compiler settings and configure flags.
> Configure failed due to the errors above!
>
> On Tue, Jan 17, 2017 at 10:47 PM, Nhai <nhai.qn.gmail.com> wrote:
>
> > Ah good point
> >
> > That link is meant to install required software to prepare for installing
> > amber.
> >
> > You still need to download anbertools
> >
> > http://ambermd.org/AmberTools16-get.html
> >
> > Hai Nguyen
> >
> > > On Jan 18, 2017, at 1:24 AM, Karla Galdamez <kgalda.berkeley.edu>
> wrote:
> > >
> > > Hi,
> > >
> > > Thank you very much in advance for your help. I am trying to download
> > > Amber on Mac OS from the link below.
> > > http://ambermd.org/amber_install.html
> > >
> > > I have followed the instructions including XCode, and typing the
> > suggested
> > > commands on the terminal line following instructions as suggested.
> > >
> > >
> > > Subsequently, I installed XQuartz, and gfortran. However, when I write
> > > down the last command to install Amber: ./configure -macAccelerate
> clang,
> > > I obtain the response of : ' No such file or directory.
> > > I have included the command lines below.
> > >
> > > Thank you once more for your help!
> > > With kind regards,
> > > Karla
> > >
> > >
> > >> karlas-MacBook-Pro:~ karlagaldamez$ sudo xcodebuild -license
> > > Password:
> > > Apple Inc.
> > >
> > > Xcode and Apple SDKs Agreement
> > >
> > >
> > >> karlas-MacBook-Pro:~ karlagaldamez$ xcode-select --install
> > > xcode-select: error: command line tools are already installed, use
> > > "Software Update" to install updates
> > >> karlas-MacBook-Pro:~ karlagaldamez$ ./configure -macAccelerate clang
> > > -bash: ./configure: No such file or directory
> > >
> > >
> > >
> > > --
> > > Karla M. Galdamez, Ph.D
> > > Affiliate Researcher
> > > Physics Department
> > > University of California at Berkeley
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Karla M. Galdamez, Ph.D
> Affiliate Researcher
> Physics Department
> University of California at Berkeley
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Jan 20 2017 - 22:00:03 PST
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