Regarding Installation

From: Jagan Mohan (o.jagan_at_gmail.com)
Date: Thu Nov 20 2008 - 04:22:49 CST

Hello,
I am trying to get the MPI enabled binaries of NAMD... The system has
openMPIv1.28 and the config files are shown below... i am facing this error
and if anyone out there could help me i would be greatful...

Linux-amd64.tcl
TCLDIR=/usr/local
TCLINCL=-I$(TCLDIR)/include -I$(HOME)/tcl/include
TCLLIB=-L$(TCLDIR)/lib -L$(HOME)/tcl/lib -ltcl8.5 -ldl
TCLFLAGS=-DNAMD_TCL -DUSE_COMPAT_CONST
TCL=$(TCLINCL) $(TCLFLAGS)

Linux-amd64.fftw
FFTDIR=/usr/local
FFTINCL=-I$(FFTDIR)/include -I$(HOME)/fftw/include
FFTLIB=-L$(FFTDIR)/lib -L$(HOME)/fftw/lib -lsrfftw -lsfftw
FFTFLAGS=-DNAMD_FFTW
FFT=$(FFTINCL) $(FFTFLAGS)

Linux-amd64-MPI.arch
NAMD_ARCH = Linux-amd64
CHARMARCH = mpi-linux-x86_64

CXX = mpic++
CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math
CC = mpicc
COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math

The error that i have is here

mpic++ -I.rootdir/charm-6.0/mpi-linux-x86_64/include -DCMK_OPTIMIZE=1 -Isrc
-Iinc -Iplugins/include -I/usr/local/include -I/root/tcl/include
-DNAMD_TCL -DUSE_COMPAT_CONST -I/usr/local/include -I/root/fftw/include
-DNAMD_FFTW -DNAMD_VERSION=\"2.6\" -DNAMD_PLATFORM=\"Linux-amd64-MPI\" -O3
-m64 -o obj/ComputePme.o -c src/ComputePme.C
src/ComputePme.C:12:19: error: sfftw.h: No such file or directory
src/ComputePme.C:13:20: error: 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' was not declared in this scope
src/ComputePme.C: In member function 'void
ComputePmeMgr::initialize(CkQdMsg*)':
src/ComputePme.C:599: error: 'work' was not declared in this scope
src/ComputePme.C:599: error: expected type-specifier before 'fftw_complex'
src/ComputePme.C:599: error: expected `;' before 'fftw_complex'
src/ComputePme.C:603: error: 'forward_plan_yz' was not declared in this
scope
src/ComputePme.C:603: error: 'FFTW_REAL_TO_COMPLEX' was not declared in this
scope
src/ComputePme.C:604: error: 'FFTW_ESTIMATE' was not declared in this scope
src/ComputePme.C:604: error: 'FFTW_MEASURE' was not declared in this scope
src/ComputePme.C:605: error: 'FFTW_IN_PLACE' was not declared in this scope
src/ComputePme.C:605: error: 'FFTW_USE_WISDOM' was not declared in this
scope
src/ComputePme.C:605: error: 'rfftwnd_create_plan_specific' was not declared
in this scope
src/ComputePme.C:609: error: 'forward_plan_x' was not declared in this scope
src/ComputePme.C:609: error: 'FFTW_REAL_TO_COMPLEX' was not declared in this
scope
src/ComputePme.C:610: error: 'FFTW_ESTIMATE' was not declared in this scope
src/ComputePme.C:610: error: 'FFTW_MEASURE' was not declared in this scope
src/ComputePme.C:611: error: 'FFTW_IN_PLACE' was not declared in this scope
src/ComputePme.C:611: error: 'FFTW_USE_WISDOM' was not declared in this
scope
src/ComputePme.C:611: error: 'fftw_complex' was not declared in this scope
src/ComputePme.C:611: error: expected primary-expression before ')' token
src/ComputePme.C:612: error: 'fftw_create_plan_specific' was not declared in
this scope
src/ComputePme.C:616: error: 'backward_plan_x' was not declared in this
scope
src/ComputePme.C:616: error: 'FFTW_COMPLEX_TO_REAL' was not declared in this
scope
src/ComputePme.C:617: error: 'FFTW_ESTIMATE' was not declared in this scope
src/ComputePme.C:617: error: 'FFTW_MEASURE' was not declared in this scope
src/ComputePme.C:618: error: 'FFTW_IN_PLACE' was not declared in this scope
src/ComputePme.C:618: error: 'FFTW_USE_WISDOM' was not declared in this
scope
src/ComputePme.C:618: error: 'fftw_complex' was not declared in this scope
src/ComputePme.C:618: error: expected primary-expression before ')' token
src/ComputePme.C:619: error: 'fftw_create_plan_specific' was not declared in
this scope
src/ComputePme.C:623: error: 'backward_plan_yz' was not declared in this
scope
src/ComputePme.C:623: error: 'FFTW_COMPLEX_TO_REAL' was not declared in this
scope
src/ComputePme.C:624: error: 'FFTW_ESTIMATE' was not declared in this scope
src/ComputePme.C:624: error: 'FFTW_MEASURE' was not declared in this scope
src/ComputePme.C:625: error: 'FFTW_IN_PLACE' was not declared in this scope
src/ComputePme.C:625: error: 'FFTW_USE_WISDOM' was not declared in this
scope
src/ComputePme.C:625: error: 'rfftwnd_create_plan_specific' was not declared
in this scope
src/ComputePme.C: In destructor 'virtual ComputePmeMgr::~ComputePmeMgr()':
src/ComputePme.C:659: error: 'work' was not declared in this scope
src/ComputePme.C: In member function 'void ComputePmeMgr::gridCalc1()':
src/ComputePme.C:712: error: 'forward_plan_yz' was not declared in this
scope
src/ComputePme.C:713: error: 'rfftwnd_real_to_complex' was not declared in
this scope
src/ComputePme.C: In member function 'void ComputePmeMgr::gridCalc2()':
src/ComputePme.C:822: error: 'forward_plan_x' was not declared in this scope
src/ComputePme.C:822: error: 'fftw_complex' was not declared in this scope
src/ComputePme.C:822: error: expected primary-expression before ')' token
src/ComputePme.C:823: error: 'work' was not declared in this scope
src/ComputePme.C:823: error: 'fftw' was not declared in this scope
src/ComputePme.C:834: error: 'backward_plan_x' was not declared in this
scope
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' was not declared in this
scope
src/ComputePme.C:940: error: 'fftw_complex' was not declared in this scope
src/ComputePme.C:940: error: expected primary-expression before ')' token
src/ComputePme.C:941: error: 'rfftwnd_complex_to_real' was not declared in
this scope
make: *** [obj/ComputePme.o] Error 1

With Regards,
Jagan

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