orbeckst / gridcount

DEPRECATED and UNSUPPORTED. gridcount is an analysis tool for Gromacs that creates 3D (number) densities from molecular dynamics trajectories. Typically, this is used to look at the density of water or ions near proteins or in channels. It provides tools to generate the 3D map in portable formats, 2D cylindrical averages and 1D linear averages ("density profiles").
http://sbcb.bioch.ox.ac.uk/oliver/software/#gridcount
Other
3 stars 0 forks source link

Compiling with threads and dlopen #2

Open orbeckst opened 11 years ago

orbeckst commented 11 years ago

If you get errors on linking such as

/home/..../Library/Gromacs/versions/serial-4.5.5/lib/libgmx.a(vmddlopen.o): In function `vmddlclose': vmddlopen.c:(.text+0x1): undefined reference to `dlclose'
...
/home/..../Library/Gromacs/versions/serial-4.5.5/lib/libgmx.a(pthreads.o): In function `tMPI_Thread_key_delete': pthreads.c:(.text+0x5e6): undefined reference to `pthread_key_delete'

then that means that you have to add additional options to the CPPFLAG and especially LDFLAG variables in the Makefile:

The lines in the Makefile are:

 CPPFLAGS += -I$(INCLUDEDIR) -I$(GMX_INCLUDE_DIR) -pthread
 LDFLAGS  +=  -pthread -lm -ldl -L$(GMX_LIB_DIR) -lmd -lgmx