Dear Sir,
Thank you, i hve gone through the mail archieve and i found tht i hve to
set environment varible for intel compiler before compilling amber8
using,
source /opt/intel_fc_80/bin/ifortvars.csh
i tried this but i am getting new error when i run "make serial"
command.i hve pasted the error below. kindly help me on this.
_____________________________________________________________________________
Starting installation of Amber8 (serial) at Mon Sep 19 20:05:47 IST 2005.
mkdir ../exe
mkdir: cannot create directory `../exe': File exists
make: [serial] Error 1 (ignored)
cd lib; make install
make[1]: Entering directory `/usr/local/amber8/src/lib'
cpp -traditional -P -I/usr/local/amber8/src/include new2oldparm.f >
_new2oldparm.f
ifort -c -w95 -tpp7 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
cpp -traditional -P -I/usr/local/amber8/src/include nxtsec.f > _nxtsec.f
ifort -c -w95 -tpp7 -mp1 -O0 -o nxtsec.o _nxtsec.f
ifort -o new2oldparm new2oldparm.o nxtsec.o
IPO link: can not find "("
ifort: error: problem during multi-file optimization compilation (code 1)
make[1]: *** [new2oldparm] Error 1
make[1]: Leaving directory `/usr/local/amber8/src/lib'
make: *** [serial] Error 2
_____________________________________________________________________________
Thank you,
Bala
On 9/17/2005, "Ross Walker" <ross.rosswalker.co.uk> wrote:
>Pasting "make[1]: ifort: Command not found" into the Google search box on
>http://amber.ch.ic.ac.uk/archive/ yields many enlighting mail messages:
>
>http://www.google.com/custom?q=make%5B1%5D%3A+ifort%3A+Command+not+found&dom
>ains=amber.ch.ic.ac.uk&sitesearch=amber.ch.ic.ac.uk&client=pub-5167267238998
>552&forid=1&channel=8655724137&ie=ISO-8859-1&oe=ISO-8859-1&cof=GALT%3A%23008
>000%3BGL%3A1%3BDIV%3A%23336699%3BVLC%3A663399%3BAH%3Acenter%3BBGC%3AFFFFFF%3
>BLBGC%3A336699%3BALC%3A0000FF%3BLC%3A0000FF%3BT%3A000000%3BGFNT%3A0000FF%3BG
>IMP%3A0000FF%3BFORID%3A1%3B&hl=en
>
>/\
>\/
>|\oss Walker
>
>| Department of Molecular Biology TPC15 |
>| The Scripps Research Institute |
>| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
>| http://www.rosswalker.co.uk | PGP Key available on request |
>
>Note: Electronic Mail is not secure, has no guarantee of delivery, may not
>be read every day, and should not be used for urgent or sensitive issues.
>
>> -----Original Message-----
>> From: owner-amber.scripps.edu
>> [mailto:owner-amber.scripps.edu] On Behalf Of cbala.igib.res.in
>> Sent: Saturday, September 17, 2005 03:29
>> To: amber.scripps.edu
>> Subject: Re: AMBER: sander prob
>>
>>
>> Sir,
>>
>> I could found that it was an installation error. i hve pasted
>> the error i
>> got during i run the "make serial" and "make test" option. i hve
>> gone through the mail archieve also but i couldnt get what i should do
>> exactly to solve this. except sander other programs are working.
>>
>> when i do make serial, i get the following,
>> --------------------------------------------------------------
>> ---------------
>> Starting installation of Amber8 (serial) at Sat Sep 17
>> 14:47:46 IST 2005.
>> mkdir ../exe
>> mkdir: cannot create directory `../exe': File exists
>> make: [serial] Error 1 (ignored)
>> cd lib; make install
>> make[1]: Entering directory `/usr/local/amber8/src/lib'
>> cpp -traditional -P -I/usr/local/amber8/src/include new2oldparm.f >
>> _new2oldparm.f
>> ifort -c -w95 -tpp7 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
>> make[1]: ifort: Command not found
>> make[1]: *** [new2oldparm.o] Error 127
>> make[1]: Leaving directory `/usr/local/amber8/src/lib'
>> make: *** [serial] Error 2
>> --------------------------------------------------------------
>> ---------------
>>
>> when i do make test, following error comes
>> --------------------------------------------------------------
>> ---------------
>>
>> cd dmp; /Run.dmp
>> ../../exe/sander: Command not found.
>> ./Run.dmp: Program error
>> make: *** [test.sander.no_lmod] Error 1
>> --------------------------------------------------------------
>> ---------------
>>
>> Kindly help me,
>> Thanks,
>> Bala
>>
>>
>> On 9/16/2005, "Carlos Simmerling" <carlos.ilion.bio.sunysb.edu> wrote:
>>
>> >it sounds like your path isn't set right. there are lots of
>> >ways to resolve that, it depends on how much Unix
>> >you know. the simplest might be to put the entire path
>> >for sander in the script.
>> >
>> >cbala.igib.res.in wrote:
>> >
>> >>dear users,
>> >>
>> >>i hve installed ifc90 and amber8 in an intel p4 machine
>> with fedora core
>> >>4. when i export the path and run xleap, its working fine
>> but when i run
>> >>sander (for mininimisation), it shows the message "bash
>> sander: command
>> >>not found".
>> >>
>> >>kindly suggest me a solution.
>> >>thanks in advance,
>> >>Bala
>> >>------------------------------------------------------------
>> -----------
>> >>The AMBER Mail Reflector
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>> >>
>> >>
>> >
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>
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Received on Mon Sep 19 2005 - 16:53:01 PDT
