Re: Struggling with the compilation of NAMD 2.6 on a PBS Cluster with LAM/MPI

From: Axel Kohlmeyer (
Date: Thu Aug 28 2008 - 14:16:18 CDT

On Thu, 28 Aug 2008, Frank Thommen wrote:


FT> -I/usr/struct/pack/namd2_mpi-2.0.6/SRC/NAMD_2.6_Source/charm-5.9/mpi-linux-amd64/include
FT> -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -I/usr/include
FT> -I/home/xsoft/tcl/include -DNAMD_TCL -I/usr/struct/pack/fftw-2.1.5/include
FT> -I/home/xsoft/fftw/include -DNAMD_FFTW -DNAMD_VERSION=\"2.6\"
FT> -DNAMD_PLATFORM=\"Linux-amd64-MPI\" -O3 -m64 -fexpensive-optimizations
FT> -ffast-math -o obj/ComputeTclBC.o -c src/ComputeTclBC.C
FT> src/ComputeTclBC.C: In constructor `ComputeTclBC::ComputeTclBC(ComputeID)':
FT> src/ComputeTclBC.C:38: error: invalid conversion from `int (*)(void*,
FT> Tcl_Interp*, int, char**)' to `int (*)(void*, Tcl_Interp*, int, const
FT> char**)'


FT> make: *** [obj/ComputeTclBC.o] Error 1
FT> [xsoft_at_clnode154 Linux-amd64-MPI]$
FT> Any ideas about this one?

was discussed here recently. you have tcl version 8.4 or 8.5, right?
NAMD 2.6 assumes version 8.3. you can add -DUSE_COMPAT_CONST or
-DUSE_NON_CONST (but not both) to the TCLFLAGS line in arch/Linux-amd64.tcl
to work around it.


FT> frank

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

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