lammps installation with plumed

[spandana...@gmail.com]

Dear Experts,

I am trying to patch plumed-2.2.1 with  lammps-6Apr13 version.

Ending up with errors. 

-----------------------------

For Plumed    

 ./configure CXXFLAGS=-DMPICH_IGNORE_CXX_SEEK  CXX=mpiicc --enable-mpi

make 

make install 

Plumed compiled with MPI support

Initially, I justed gave  ./configure CXX=mpicxx  CC=mpiicc  

Its not getting compile with MPI...

For patching with lammps

plumed patch -p   worked

when installing  make machine

Its giving the error   such  as    " first defined here"

Does anyone can help me?

Thanks very much

Spandana

[Pablo Piaggi]

Dear Spandana,

Could you check if the word  $(PLUMED_LOAD)  appears more than once in the file src/Makefile.package inside LAMMPS directory?

I've had similar errors and the solution was leaving only one $(PLUMED_LOAD) .

Let me know if it works.

Pablo

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[Yong]

Dear Spandana，

I have patched lammps16Feb16 with plumed-2.2.1. Can you tell me how to get  lammps-6Apr13 version. I can not find  lammps-6Apr13 version in the website of lammps. I want to use this verision. Thanks.

Regards,

Yong Zhang

在 2016年2月23日星期二 UTC+11上午6:43:01，spandana...@gmail.com写道：

[Michael Goytia]

Yong,

You don't need that version of lammps to patch over. You can still use the patch procedure for plumed-2.2.1 for the newest version of lammps, as of last week when we compiled it, even lammps mpi.

-Michael Goytia