NAMD installation on Xeon64 cluster

From: Ugur Akgun (ugur_iowa_at_hotmail.com)
Date: Wed Sep 20 2006 - 16:08:07 CDT

Hi Jim;
I solved the path problem with the charm++.h..
now it gives error on fftw... Looks like it cannot find sfftw.h file.. I hav
downloaded the fftw package from the webpage, do you know where the problem
is?
thank you

[uakgun_at_frontend Linux-amd64-g++]$ make
g++ -I.rootdir/charm-5.9/net-linux-amd64/include -DCMK_OPTIMIZE=1 -Isrc
-Iinc -Iplugins/include -I.rootdir/tcl/linux-amd64/include -I/home
/uakgun/tcl/include -DNAMD_TCL -I.rootdir/fftw/linux-amd64/include
-I/home/uakgun/fftw/include -DNAMD_FFTW -DNAMD_VERSION=\"2.6\" -DNAMD_PL
ATFORM=\"Linux-amd64\" -O3 -m64 -fexpensive-optimizations -ffast-math -o
obj/ComputePme.o -c src/ComputePme.C
src/ComputePme.C:12:19: sfftw.h: No such file or directory
src/ComputePme.C:13:20: srfftw.h: No such file or directory
src/ComputePme.C:226: error: `fftw_plan' does not name a type
src/ComputePme.C:227: error: `rfftwnd_plan' does not name a type
src/ComputePme.C:228: error: ISO C++ forbids declaration of `fftw_complex'
with no type
src/ComputePme.C:228: error: expected `;' before '*' token
src/ComputePme.C: In constructor `ComputePmeMgr::ComputePmeMgr()':
src/ComputePme.C:306: error: `work' undeclared (first use this function)
src/ComputePme.C:306: error: (Each undeclared identifier is reported only
once for each function it appears in.)
src/ComputePme.C: In member function `void
ComputePmeMgr::initialize(CkQdMsg*)':
src/ComputePme.C:599: error: `work' undeclared (first use this function)
src/ComputePme.C:599: error: `fftw_complex' has not been declared
src/ComputePme.C:603: error: `forward_plan_yz' undeclared (first use this
function)
src/ComputePme.C:603: error: `FFTW_REAL_TO_COMPLEX' undeclared (first use
this function)
src/ComputePme.C:604: error: `FFTW_ESTIMATE' undeclared (first use this
function)
src/ComputePme.C:604: error: `FFTW_MEASURE' undeclared (first use this
function)
src/ComputePme.C:605: error: `FFTW_IN_PLACE' undeclared (first use this
function)
src/ComputePme.C:605: error: `FFTW_USE_WISDOM' undeclared (first use this
function)
src/ComputePme.C:605: error: `rfftwnd_create_plan_specific' undeclared
(first use this function)
src/ComputePme.C:609: error: `forward_plan_x' undeclared (first use this
function)
src/ComputePme.C:611: error: `fftw_complex' undeclared (first use this
function)
src/ComputePme.C:611: error: expected primary-expression before ')' token
src/ComputePme.C:612: error: `fftw_create_plan_specific' undeclared (first
use this function)
src/ComputePme.C:616: error: `backward_plan_x' undeclared (first use this
function)
src/ComputePme.C:616: error: `FFTW_COMPLEX_TO_REAL' undeclared (first use
this function)
src/ComputePme.C:618: error: expected primary-expression before ')' token
src/ComputePme.C:623: error: `backward_plan_yz' undeclared (first use this
function)
src/ComputePme.C: In destructor `virtual ComputePmeMgr::~ComputePmeMgr()':
src/ComputePme.C:659: error: `work' undeclared (first use this function)
src/ComputePme.C: In member function `void ComputePmeMgr::gridCalc1()':
src/ComputePme.C:712: error: `forward_plan_yz' undeclared (first use this
function)
src/ComputePme.C:713: error: `rfftwnd_real_to_complex' undeclared (first use
this function)
src/ComputePme.C: In member function `void ComputePmeMgr::gridCalc2()':
src/ComputePme.C:822: error: `forward_plan_x' undeclared (first use this
function)
src/ComputePme.C:822: error: `fftw_complex' undeclared (first use this
function)
src/ComputePme.C:822: error: expected primary-expression before ')' token
src/ComputePme.C:823: error: `work' undeclared (first use this function)
src/ComputePme.C:823: error: `fftw' undeclared (first use this function)
src/ComputePme.C:834: error: `backward_plan_x' undeclared (first use this
function)
src/ComputePme.C:834: error: expected primary-expression before ')' token
src/ComputePme.C: In member function `void ComputePmeMgr::gridCalc3()':
src/ComputePme.C:939: error: `backward_plan_yz' undeclared (first use this
function)
src/ComputePme.C:940: error: `fftw_complex' undeclared (first use this
function)
src/ComputePme.C:940: error: expected primary-expression before ')' token
src/ComputePme.C:941: error: `rfftwnd_complex_to_real' undeclared (first use
this function)
make: *** [obj/ComputePme.o] Error 1

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