Problem with LAMMPS on Ubuntu

LAMMPS LAMMPS Mailing List Mirror
1

Dear Dr. Axel,

Thank you for your attention. Please find the following lines (a small part) that are printed before the make error

mpicxx -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c …/domain.cpp
mpicxx -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -c …/domain_omp.cp
…/domain_omp.cpp:37:6: error: ‘DomainOMP’ has not been declared
…/domain_omp.cpp: In function ‘void pbc()’:
…/domain_omp.cpp:39:42: error: ‘atom’ was not declared in this scope
…/domain_omp.cpp:41:43: error: ‘triclinic’ was not declared in this scope
…/domain_omp.cpp:41:61: error: ‘boxlo’ was not declared in this scope
…/domain_omp.cpp:41:69: error: ‘boxlo_lamda’ was not declared in this scope
…/domain_omp.cpp:42:61: error: ‘boxhi’ was not declared in this scope
…/domain_omp.cpp:42:69: error: ‘boxhi_lamda’ was not declared in this scope
…/domain_omp.cpp:43:61: error: ‘prd’ was not declared in this scope
…/domain_omp.cpp:43:69: error: ‘prd_lamda’ was not declared in this scope
…/domain_omp.cpp:55:9: error: ‘xperiodic’ was not declared in this scope
…/domain_omp.cpp:58:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:58:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:58:67: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp:68:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:68:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:68:67: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp:77:9: error: ‘yperiodic’ was not declared in this scope
…/domain_omp.cpp:80:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:80:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:81:21: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp:93:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:93:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:94:21: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp:105:9: error: ‘zperiodic’ was not declared in this scope
…/domain_omp.cpp:108:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:108:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:109:21: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp:122:13: error: ‘deform_vremap’ was not declared in this scope
…/domain_omp.cpp:122:40: error: ‘deform_groupbit’ was not declared in this scope
…/domain_omp.cpp:123:21: error: ‘h_rate’ was not declared in this scope
…/domain_omp.cpp: At global scope:
…/domain_omp.cpp:142:6: error: ‘DomainOMP’ has not been declared
…/domain_omp.cpp: In function ‘void lamda2x(int)’:
…/domain_omp.cpp:144:42: error: ‘atom’ was not declared in this scope
…/domain_omp.cpp:152:14: error: ‘h’ was not declared in this scope
…/domain_omp.cpp:152:56: error: ‘boxlo’ was not declared in this scope
…/domain_omp.cpp: At global scope:
…/domain_omp.cpp:163:6: error: ‘DomainOMP’ has not been declared
…/domain_omp.cpp: In function ‘void x2lamda(int)’:
…/domain_omp.cpp:165:42: error: ‘atom’ was not declared in this scope
…/domain_omp.cpp:173:30: error: ‘boxlo’ was not declared in this scope
…/domain_omp.cpp:177:14: error: ‘h_inv’ was not declared in this scope
make[1]: *** [domain_omp.o] Error 1
make[1]: Leaving directory `/home/majid/lammps-10Jan15/src/Obj_ubuntu_parallel’
make: *** [ubuntu_parallel] Error 2

Thanks in advance

2

the makefile you are using seems to be written for a much older
version of LAMMPS and is not compatible with current source packages.
you should be able to obtain a working binary from using: make mpi
there also is a ubuntu specific makefile in the LAMMPS distribution
at: src/MAKE/MACHINES/Makefile.ubuntu
please read the comment at the top of the file to see which additional
development packages need to be installed for it to work.

in short, just follow what is written in the documentation bundled
with the sources.

axel.

3

For info, I was able to build the mpi target on ubuntu 12.04. I have moved to
14.04 since and cannot test 12.04 anymore but can compile fine on 14.04.

Good luck,

Pierre