FFTW and NAMD problems during compiling on BluegeneL

From: I. Vyalov (VyalovIvan_at_yandex.ru)
Date: Wed Sep 29 2010 - 05:00:55 CDT

Dear NAMD users,

I am trying to compile NAMD at bluegene machine following these steps:

1) Installing tcl interpreter;
2) Installing fftw library:

/configure --enable-double --enable-type-prefix --enable-static --prefix=/homebg/vyalov/fftw && make -j 32 && make install

3) Compiling charm++
4) Compiling NAMD:

(paths to tcl, fftw are written in arch/BluegeneL.tcl and arch/BluegeneL.fftw)

/config BlueGeneL-MPI-xlC
cd BlueGeneL-MPI-xlC
make

but during the compilation I get following error message:

~/NAMD/NAMD_2.7b4_Source/BlueGeneL-MPI-xlC> make
blrts_xlC -qstaticinline -DNO_SOCKET -DDUMMY_VMDSOCK -DNOHOSTNAME -DNO_GETPWUID -I/bgl/BlueLight/ppcfloor/bglsys/include/ -DNETWORK_PROGRESS -DUSE_TOPOMAP=1 -I.rootdir/charm-6.2.2/mpi-bluegenel-xlc/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I/homebg/vyalov/tcl/include -DNAMD_TCL -I/homebg/vyalov/fftw/include -DNAMD_FFTW -DNAMD_FFTW_NO_TYPE_PREFIX -DNAMD_VERSION=\"2.7b4\" -DNAMD_PLATFORM=\"BlueGeneL-MPI\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -O3 -Q -qarch=440 -qtune=440 -qhot -DARCH_POWERPC -o obj/ComputePme.o -c src/ComputePme.C
"src/ComputePme.C", line 866.44: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 866.44: 1540-1205 (I) The error occurred while converting to parameter 5 of "rfftwnd_create_plan_specific(int, const int *, fftw_direction, int, fftw_real *, int, fftw_real *, int)".
"src/ComputePme.C", line 886.44: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 886.44: 1540-1205 (I) The error occurred while converting to parameter 5 of "rfftwnd_create_plan_specific(int, const int *, fftw_direction, int, fftw_real *, int, fftw_real *, int)".
"src/ComputePme.C", line 1046.15: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 1046.15: 1540-1205 (I) The error occurred while converting to parameter 3 of "rfftwnd_real_to_complex(rfftwnd_plan, int, fftw_real *, int, int, fftw_complex *, int, int)".
"src/ComputePme.C", line 2481.44: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 2481.44: 1540-1205 (I) The error occurred while converting to parameter 5 of "rfftwnd_create_plan_specific(int, const int *, fftw_direction, int, fftw_real *, int, fftw_real *, int)".
"src/ComputePme.C", line 2484.44: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 2484.44: 1540-1205 (I) The error occurred while converting to parameter 5 of "rfftwnd_create_plan_specific(int, const int *, fftw_direction, int, fftw_real *, int, fftw_real *, int)".
"src/ComputePme.C", line 2624.9: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 2624.9: 1540-1205 (I) The error occurred while converting to parameter 3 of "rfftwnd_real_to_complex(rfftwnd_plan, int, fftw_real *, int, int, fftw_complex *, int, int)".
"src/ComputePme.C", line 2966.61: 1540-0256 (S) A parameter of type "double *" cannot be initialized with an expression of type "float *".
"src/ComputePme.C", line 2966.61: 1540-1205 (I) The error occurred while converting to parameter 6 of "rfftwnd_complex_to_real(rfftwnd_plan, int, fftw_complex *, int, int, fftw_real *, int, int)".
make: *** [obj/ComputePme.o] Error 1

obviously this error arises due to the problems with precision in fftw library but I can't understand why it is happenning.

-- 
with best regards,
Ivan

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