namd 2.5 compilation error

From: Dong Xu (d1xu_at_ucsd.edu)
Date: Sun Sep 28 2008 - 01:53:14 CDT

Hi,

I was trying to compile namd 2.6 with myrinet mpich-gm and pgi
compiler. I managed to get charmm++ compile ok and passed megatest.

When I compile namd using Linux-i686-pgCC.arch, I got the following
error. Looks like there are some issues with tcl library libtcl8.3.a.

Any help will be highly appreciated.

-DX

charmc> ----------- Module dependency search ------------
charmc> ----------- Module dependency search complete ------------
Adding registration for module NeighborLB
Adding registration for module commlib
charmc: Executing mpiCC -D__CHARMC__=1 -c moduleinit14691.C -o moduleinit14691.o
charmc: Executing mpiCC -L/home/dong/namd_lib/lib -L/home/dong/tcl/lib
-L/home/dong/namd_lib/lib -L/home/dong/fftm
C++ prelinker: executing: /usr/pgi/linux86/bin/pgCC
-I/home/dong/NAMD_2.6_Source/charm-5.9/mpi-linux/include -DCMC
"/usr/include/bits/in.h", line 69: warning: declaration of a member with the
          same name as its class
      char ip_opts[40]; /* Actually variable in size. */
           ^

C++ prelinker: executing: /usr/pgi/linux86/bin/pgCC
-I/home/dong/NAMD_2.6_Source/charm-5.9/mpi-linux/include -DCMC
"/usr/include/bits/in.h", line 69: warning: declaration of a member with the
          same name as its class
      char ip_opts[40]; /* Actually variable in size. */
           ^

/home/dong/namd_lib/lib/libtcl8.3.a(tclUnixPipe.o): In function
`TclpCreateTempFile':
tclUnixPipe.o(.text+0xe2): the use of `tmpnam' is dangerous, better
use `mkstemp'
/home/dong/namd_lib/lib/libtcl8.3.a(tclBinary.o): In function `.L174':
tclBinary.o(.text+0xa4f): undefined reference to `__ctype_b_loc'
tclBinary.o(.text+0xad2): undefined reference to `__ctype_b_loc'
/home/dong/namd_lib/lib/libtcl8.3.a(tclBinary.o): In function `GetFormatSpec':
tclBinary.o(.text+0x1377): undefined reference to `__ctype_b_loc'
/home/dong/namd_lib/lib/libtcl8.3.a(tclCmdAH.o): In function `Tcl_CaseObjCmd':
tclCmdAH.o(.text+0x16d): undefined reference to `__ctype_b_loc'
/home/dong/namd_lib/lib/libtcl8.3.a(tclCmdAH.o): In function `Tcl_FormatObjCmd':
tclCmdAH.o(.text+0x233c): undefined reference to `__ctype_b_loc'
/home/dong/namd_lib/lib/libtcl8.3.a(tclCmdAH.o)(.text+0x2427): more
undefined references to `__ctype_b_loc' follow
Fatal Error by charmc in directory /home/dong/NAMD_2.6_Source/Linux-i686-pgCC
   Command mpiCC -L/home/dong/namd_lib/lib -L/home/dong/tcl/lib
-L/home/dong/namd_lib/lib -L/home/dong/fftw/lib -2
charmc exiting...
rm -f moduleinit14691.C moduleinit14691.o
make: *** [namd2] Error 1

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