NAMD 2.7b1 on Athlon64 Gigabit MPI - Compile Error "src/Settle.C:153: error: ‘_mm_cvtsd_f64’ was not declared in this scope"

From: Greg Guthe (
Date: Thu Apr 02 2009 - 18:50:44 CDT


I'm trying to compile NAMD 2.7b1 on a 5 node 8 ppn Athlon64 Gigabit
cluster using MPI messaging with OpenMPI 4.0.3.

$ uname -a
Linux babbage 2.6.15-52-amd64-generic #1 SMP PREEMPT Wed Oct 22
18:50:59 UTC 2008 x86_64 GNU/Linux
~/NAMD_2.7b1_Source/Linux-x86_64-g++$ make
g++ -I.rootdir/charm-6.1/mpi-linux-x86_64-mpicxx/include
-DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN
-I/n/home/gguthe/NAMD_2.7b1_Source/linux-x86_64/include -DNAMD_TCL
-I/n/home/gguthe/NAMD_2.7b1_Source/linux-x86_64/include -DNAMD_FFTW
-DNAMD_VERSION=\"2.7b1\" -DNAMD_PLATFORM=\"Linux-x86_64\"
-DREMOVE_PROXYRESULTMSG_EXTRACOPY -O3 -m64 -fexpensive-optimizations
-ffast-math -o obj/Settle.o -c src/Settle.C
src/Settle.C: In function ‘int settle1(const Vector*, Vector*,
Vector*, BigReal)’:
src/Settle.C:153: error: ‘_mm_cvtsd_f64’ was not declared in this scope
make: *** [obj/Settle.o] Error 1

charm++ built and passed local megatest on archs:
mpi-linux-x86_64-mpicxx (smart builds)

mpi-linux-amd64 (for Opteron but I built 2.6 using amd-64 thought it
was worth a shot)

Tried those with the corresponding NAMD archs Linux-x86_64-MPI-pathcc
and Linux-x86_64-g++ and tried specifying a new arch
Linux-x86_64-MPI.arch using mpi compilers:

~/NAMD_2.7b1_Source/arch$ cat Linux-x86_64-MPI.arch
NAMD_ARCH = Linux-x86_64
CHARMARCH = mpi-linux-x86_64-mpicxx

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

I tried commenting line 198 of the makefile to "#
$(DSTDIR)/Settle.o \" but I'm not sure how NAMD links Settle.o and
then Mom said it was past my 8pm bedtime and we just run the cluster
to keep the dog warm so ...


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:33 CST