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Colvars / colvars

Collective variables library for molecular simulation and analysis programs
http://colvars.github.io/
GNU Lesser General Public License v3.0
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Compile on Blue Gene Q using mpixlcxx_r #31

Closed ketankhare closed 9 years ago

ketankhare commented 9 years ago

Dear Developers,

I am using a Makefile on a Blue Gene Q machine with the following settings for CXX and CXXFLAGS: CXX = /bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlcxx_r CXXFLAGS = -g -O3 -qarch=qp -qtune=qp -qsmp=omp -qstrict

Such a makefile works well for the colvars library distributed with LAMMPS version dated 30Oct14. However, the compiler issues an error if I use these settings with the corresponding libraries distributed with LAMMPS versions dated 9Dec14 (latest stable) and 16Feb15 (developers). The error is as follows:

"colvartypes.h", line 327.5: 1540-1113 (S) The class template name "matrix2d" must be followed by a < in this context."

All of the these libraries are compiled successfully by the GNU compiler on the same system. Could you please advise on possible resolutions for this error?

I appreciate your help! Thanks, Ketan

akohlmey commented 9 years ago

Please try either the latest LAMMPS-ICMS version or download the latest colvars snapshot from github and update your LAMMPS version with it. This issue should have been already corrected only the code has not yet been included into the upstream LAMMPS version (in fact, i emailed a patch to upgrade colvars in LAMMPS with the latest changes to steve earlier today).

ketankhare commented 9 years ago

Thanks Axel! Your legendary promptness never fails to impress. Cheers!