Re: namd cvs compilation

From: BIN ZHANG (zhngbn_at_gmail.com)
Date: Thu Nov 27 2008 - 01:00:14 CST

Sorry about this, but I think that's the problem.
Now I can compile namd, but when I tried to run the CG model, one peculiar
error occured:

"Unable to find angle parameter for Nxg Nxx Nxg"

Is this a reasonable error ?

Thanks .
Bin

On Wed, Nov 26, 2008 at 5:24 PM, BIN ZHANG <zhngbn_at_gmail.com> wrote:

> Hi, Axel:
>
> I just saw your response to the thread "NAMD crashed with TclForce
> turned on"
>
> > the namd cvs code defines USE_COMPAT_CONST in the headers that
> > include tcl.h. defining USE_NON_CONST is incompatible with that
> > (see tcl.h). that same should be true for tcl8.4 if you compile
> > the cvs. hence my suspicion that you compiled against an
> > inconsistent version of the tcl header. this can easily cause
> > segfaults regardless of the compiler.
>
> Does this mean when I try to compile cvs version of NAMD, the *.tcl
> file in the arch folder should no longer use "TCLFLAGS=-DNAMD_TCL
> -DUSE_NON_CONST", but instead should be :
> "TCLFLAGS=-DNAMD_TCL"?(-DUSE_NON_CONST no longer needed)
> Thanks a lot and Happy Thanksgiving.
>
> Bin
>
>
>
>
>
>
>
>
> On Nov 26, 2008, at 4:55 PM, BIN ZHANG wrote:
>
> Hi, all:
>> I was trying to build NAMD CVS version(downloaded yesterday) on a linux
>> cluster, with the arch file:
>>
>> ==========================================
>> NAMD_ARCH = Linux-amd64
>> CHARMARCH = mpi-linux-amd64-icc-mpich
>> CHARMOPTS = -thread context -memory os
>>
>> FLOATOPTS = -O3 -fno-rtti -ipo0 -xW -mtune=pentium4
>>
>> CXX = /opt/mpich/infiniband/intel/bin/mpiCC
>> CC = /opt/mpich/infiniband/intel/bin/mpicc
>> CXXOPTS = -static-intel $(FLOATOPTS)
>> CXXNOALIASOPTS = -fno-alias $(FLOATOPTS)
>> COPTS = -static-intel $(FLOATOPTS)
>> ==========================================
>>
>> But it failed with the error:
>>
>> /usr/include/tcl.h(256): catastrophic error: #error directive: define at
>> most one of USE_NON_CONST and USE_COMPAT_CONST
>> # error define at most one of USE_NON_CONST and USE_COMPAT_CONST
>> ^
>>
>> compilation aborted for src/mainfunc.C (code 4)
>> make: *** [obj/mainfunc.o] Error 4
>>
>> Does anyone know what is this error about? How to solve the problem
>> then?
>>
>> Thanks a lot and Happy Thanksgiving.
>> Bin
>>
>> PS: the same configuration works for NAMD-2.6
>>
>>
>>
>>
>>
>>
>>
>> -------------------------------------------------------------
>> The tree of liberty must be refreshed from time to time with the blood of
>> patriots and tyrants.
>>
>>
>
>
>
>
>
>
>
>
>
>
> -------------------------------------------------------------
> The tree of liberty must be refreshed from time to time with the blood of
> patriots and tyrants.
>
>

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