[plumed-users] CP2K-3_0 with Plumed-2.2.0 installation problem

Giovanni Bussi giovann... at gmail.com
Mon Jan 4 19:04:41 CET 2016


Hi,

I think it is a small bug that we (in this case, I) introduced in the
upgrade to plumed 2.2. I will fix it asap in the plumed repository.
Meanwhile:

open /home/tarak/software/plumed-2/lib/plumed/src/lib/Plumed.inc

look for a line that looks like:
PLUMED_STATIC_LOAD= ... list of objects ... ... list of options ...

then edit the variable PLUMED_STATIC_DEPENDENCIES so that it is equal to
the same list of objects.

In my case:

*** before correction:
PLUMED_RUNTIME_LOAD=
"/Users/bussi/test-install-plumed/lib/plumed/obj/Plumed.o" -ldl
PLUMED_STATIC_LOAD=
"/Users/bussi/test-install-plumed/lib/plumed/obj/kernel.o"
"/Users/bussi/test-install-plumed/lib/plumed/obj/PlumedStatic.o" -ldl
 -lstdc++ -lxdrfile -lgsl -lgslcblas -lz -lmatheval -ldl -lmolfile_plugin
-llapack -lblas
PLUMED_SHARED_LOAD= "/Users/bussi/test-install-plumed/lib/libplumed.dylib"
-ldl
PLUMED_RUNTIME_DEPENDENCIES=
PLUMED_STATIC_DEPENDENCIES=
"/Users/bussi/test-install-plumed/lib/plumed/obj/PlumedStatic.o"
PLUMED_SHARED_DEPENDENCIES=
"/Users/bussi/test-install-plumed/lib/libplumed.dylib"
*** after correction:
PLUMED_RUNTIME_LOAD=
"/Users/bussi/test-install-plumed/lib/plumed/obj/Plumed.o" -ldl
PLUMED_STATIC_LOAD=
"/Users/bussi/test-install-plumed/lib/plumed/obj/kernel.o"
"/Users/bussi/test-install-plumed/lib/plumed/obj/PlumedStatic.o" -ldl
 -lstdc++ -lxdrfile -lgsl -lgslcblas -lz -lmatheval -ldl -lmolfile_plugin
-llapack -lblas
PLUMED_SHARED_LOAD= "/Users/bussi/test-install-plumed/lib/libplumed.dylib"
-ldl
PLUMED_RUNTIME_DEPENDENCIES=
PLUMED_STATIC_DEPENDENCIES=
"/Users/bussi/test-install-plumed/lib/plumed/obj/kernel.o"
"/Users/bussi/test-install-plumed/lib/plumed/obj/PlumedStatic.o"
PLUMED_SHARED_DEPENDENCIES=
"/Users/bussi/test-install-plumed/lib/libplumed.dylib"

Let us know if this fixes your issue.

Many thanks!

Giovanni







On Mon, Jan 4, 2016 at 6:50 PM, tarak karmakar <tarak... at gmail.com> wrote:

> Dear All,
> I have successfully installed Plumed-2.2.0 in my system. Now, my next task
> is to patch it with CP2K-3_0. I followed the following steps,
>
> 1) added -D__PLUMED2 in DFLAGS,
>
> 2) added the following two lines in 'Linux-x86-64-intel-mic.popt' file,
>          include
> /home/tarak/software/plumed-2/lib/plumed/src/lib/Plumed.inc
>          EXTERNAL_OBJECTS=$(PLUMED_STATIC_DEPENDENCIES)
>
> 2) make -j 4 ARCH=Linux-x86-64-intel-mic VERSION=popt
>
> Whiling doing so, I encountered the following error,
>
> -----------------------------------------------------------------------------------------------------------------
> /home/tarak/software/plumed-2/lib/plumed/obj/PlumedStatic.o:(.data+0x0):
> undefined reference to `plumedmain_create'
> /home/tarak/software/plumed-2/lib/plumed/obj/PlumedStatic.o:(.data+0x8):
> undefined reference to `plumedmain_cmd'
> /home/tarak/software/plumed-2/lib/plumed/obj/PlumedStatic.o:(.data+0x10):
> undefined reference to `plumedmain_finalize'
> make[3]: ***
> [/home/tarak/software/cp2k-3.0/exe/Linux-x86-64-intel-mic/graph.popt] Error
> 1
> make[3]: *** Waiting for unfinished jobs....
> make[2]: *** [all] Error 2
> make[1]: *** [popt] Error 2
> make: *** [all] Error 2
>
> -----------------------------------------------------------------------------------------------------------------
> I would appreciate any suggestion.
>
> Regards,
> Tarak
>
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