Re: AMBER: PMEMD COMPILATION REDHAT

From: Robert Duke <rduke.email.unc.edu>
Date: Thu, 11 Mar 2004 13:57:45 -0500

Obdulia -
I presume you are dealing with pmemd 3.1 here? I also presume this is a
uniprocessor build, but for reasons I don't fully understand, it looks like
you need to include a -lpthread in the LOADLIB line of the MACHINE file. I
have only recently gotten access to later redhat versions, and have had lots
of grief which will hopefully get sorted out as Intel gets its act together
and gets a truly functioning ifc8. I am in the process of downgrading a
RHEL 3.1 AMD 64 installation on a dual opteron workstation to RH 9; even
though I can emulate 32 bit mode for the builds, there are (presumably)
threads problems that crash or hang the 3.1 AMD64 system. SO as I get more
things worked out, we will post suggestions on the Amber web site. Other
folks that have worked this stuff out, please speak up. David Case, isn't
loyd a RH9 system that successfully builds/runs pmemd?
Regards - Bob Duke
----- Original Message -----
From: "Obdulia Rabal" <mrabal.iqs.es>
To: <amber.scripps.edu>
Sent: Thursday, March 11, 2004 1:36 PM
Subject: AMBER: PMEMD COMPILATION REDHAT


>
> Dear all:
>
> I am trying to compile src.pmemd under RedHat 9.0 with ifc 7.1 compiler.
>
> I have read in a related e-mail
> http://amber.ch.ic.ac.uk/archive/200401/0027.html
> that
> maybe there is a problem with compilation because RedHat 9.0 uses 2.3.2
> glibc.
>
> The following message appears when compiling:
>
>
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(fstop.o)(.text+0xaa): In
> function `libi_exit':
> : referencia a `pthread_self' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(fstop.o)(.text+0xb6): In
> function `libi_exit':
> : referencia a `pthread_equal' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(threadsafe.o)(.text+0x23): In
> function `f_claim_mutex':
> : referencia a `pthread_mutex_lock' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(threadsafe.o)(.text+0x33): In
> function `f_exitthread':
> : referencia a `pthread_exit' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(threadsafe.o)(.text+0x53): In
> function `f_release_mutex':
> : referencia a `pthread_mutex_unlock' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(f90init.o)(.text+0x1b): In
> function `f90_init':
> : referencia a `pthread_self' sin definir
> /opt/intel/compiler70/ia32/lib/libIEPCF90.a(f90fioerr.o)(.text+0x4d3): In
> function `f_f77ioerr':
> : referencia a `__ctype_b' sin definir
> /opt/intel/compiler70/ia32/lib/libcxa.a(exception.o)(.text+0x7d): In
> function `std::set_unexpected(void (*)())':
> : referencia a `pthread_mutex_lock' sin definir
> /opt/intel/compiler70/ia32/lib/libcxa.a(exception.o)(.text+0x95): In
> function `std::set_unexpected(void (*)())':
> : referencia a `pthread_mutex_unlock' sin definir
> /opt/intel/compiler70/ia32/lib/libcxa.a(exception.o)(.text+0x107): In
> function `std::set_terminate(void (*)())':
> : referencia a `pthread_mutex_lock' sin definir
> ......
> and so on.
>
> Could anybody help me?
>
> Thanks in advance.
> OBdulia Rabal
> amber.scripps.edu
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Received on Thu Mar 11 2004 - 19:53:00 PST
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