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depablogroup / LAMMPS-3SPN2

Coarse-grained molecular model of DNA (LAMMPS plugin)
MIT License
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Compiling error for LAMMPS 7 Aug 2019 #2

Closed Dezhao-Huang closed 5 years ago

Dezhao-Huang commented 5 years ago

To reproduce the error: first, I have downloaded latest lammps version 7 Aug 2019 and the USER-2SPN2 folder. I copied the USER-2SPN2 folder into the src folder of LAMMPS. In src folder: module load ompi make icc_openmpi -j 12 make yes-CLASS2 make yes-MOLECULE make yes-USER-2SPN2 make icc_openmpi -j 12 Then the error shows:

Gathering installed package information (may take a little while) make[1]: Entering directory /scratch365/dhuang2/si_DNA/mylammps/src' Gathering git version information make[1]: Leaving directory/scratch365/dhuang2/si_DNA/mylammps/src' Compiling LAMMPS for machine icc_openmpi make[1]: Entering directory /scratch365/dhuang2/si_DNA/mylammps/src/Obj_icc_openmpi' make[1]: Leaving directory/scratch365/dhuang2/si_DNA/mylammps/src/Obj_icc_openmpi' make[1]: Entering directory `/scratch365/dhuang2/si_DNA/mylammps/src/Obj_icc_openmpi' mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../pair_lj_charmm_coul_charmm.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../atom.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../pair_lj_class2.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../angle_list.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../dihedral_3spn2.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../pair_lj_charmm_coul_charmm_implicit.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../pair_lj_class2_coul_long.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../improper_umbrella.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../bond_nonlinear.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../bond_quartic.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../atom_vec_bond.cpp mpicxx -g -O3 -restrict -DLAMMPS_GZIP -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../bond_list.cpp ../angle_list.cpp(254): error: argument of type "int" is incompatible with parameter of type "char *" force->bounds(arg[0],atom->nangletypes,ilo,ihi); ^

../angle_list.cpp(254): error #165: too few arguments in function call force->bounds(arg[0],atom->nangletypes,ilo,ihi); ^

compilation aborted for ../angle_list.cpp (code 2) make[1]: [angle_list.o] Error 2 make[1]: Waiting for unfinished jobs.... ../bond_list.cpp(221): error: argument of type "int" is incompatible with parameter of type "char *" force->bounds(arg[0],atom->nbondtypes,ilo,ihi); ^

../bond_list.cpp(221): error #165: too few arguments in function call force->bounds(arg[0],atom->nbondtypes,ilo,ihi); ^

compilation aborted for ../bond_list.cpp (code 2) make[1]: ** [bond_list.o] Error 2 ../dihedral_3spn2.cpp(299): error: argument of type "int" is incompatible with parameter of type "char " force->bounds(arg[0],atom->ndihedraltypes,ilo,ihi); ^

../dihedral_3spn2.cpp(299): error #165: too few arguments in function call force->bounds(arg[0],atom->ndihedraltypes,ilo,ihi); ^

compilation aborted for ../dihedral_3spn2.cpp (code 2) make[1]: [dihedral_3spn2.o] Error 2 make[1]: Leaving directory `/scratch365/dhuang2/si_DNA/mylammps/src/Obj_icc_openmpi' make: [icc_openmpi] Error 2

lequieu commented 5 years ago

USER-3SPN is currently only compatible up to the 13 Jan 2014 version of LAMMPS. Try that version of LAMMPS and see if you can get the code to compile.

lequieu commented 5 years ago

Addressed in Pull Request #3