单机版编译VASP,遇到如下问题:
rm -f vasp
ifort -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fftw3d.o fft3dlib.o /usr/local/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -L/home/computation/vasp_src/Linux_P4SSE2/ -lf77blas -latlas
IPO link: can not find " /opt/intel/fc/9.0/lib/for_main.o"
ifort: error: problem during multi-file optimization compilation (code 1)
make: *** [vasp] 错误 1
computation@linuxserver:~/vasp_src/vasp.4.6$ ifort -dryrun main.f90
fortcom
-D__INTEL_COMPILER=900
-D__ELF__
-D__INTEL_COMPILER_BUILD_DATE=20051201
-D__unix__
-D__unix
-D__linux__
-D__linux
-D__gnu_linux__
-Dunix
-Dlinux
-D__i386
-D__i386__
-Di386
-mGLOB_pack_sort_init_list
-I.
"-I /opt/intel/fc/9.0/include"
"-I /opt/intel/fc/9.0/substitute_headers"
-I/usr/include
-O2
-mP1OPT_version=900
-mGLOB_source_language=GLOB_SOURCE_LANGUAGE_F90
-mGLOB_tune_for_fort
-mGLOB_use_fort_dope_vector
-mP2OPT_static_promotion
-mP1OPT_print_version=FALSE
-mP3OPT_use_mspp_call_convention
-mCG_use_gas_got_workaround=T
-mP2OPT_align_option_used=TRUE
-mGLOB_options_string=-dryrun
-mGLOB_cxx_limited_range=FALSE
-mGLOB_as_output_backup_file_name=/tmp/ifortKqfb6yas_
-mGLOB_machine_model=GLOB_MACHINE_MODEL_IA32_NONE
-mP2OPT_subs_out_of_bound=FALSE
-mIPOPT_ninl_user_level=2
-mIPOPT_activate
-mIPOPT_lite
-mP2OPT_hlo_level=2
-mP2OPT_hlo
-mIPOPT_obj_output_file_name=/tmp/ifortMrvjcv.o
"-mGLOB_linker_version=(GNU Binutils for Ubuntu) 2.18.0.20080103"
-mP3OPT_asm_target=P3OPT_ASM_TARGET_GAS
-mGLOB_obj_output_file=/tmp/ifortMrvjcv.o
-mGLOB_source_dialect=GLOB_SOURCE_DIALECT_FORTRAN
-mP1OPT_source_file_name=main.f90
main.f90
ld
/usr/lib/crt1.o
/usr/lib/crti.o
/usr/lib/gcc/i486-linux-gnu/4.2.4/crtbegin.o
-dynamic-linker
/lib/ld-linux.so.2
-m
elf_i386
-o
a.out
" /opt/intel/fc/9.0/lib/for_main.o"
/tmp/ifortMrvjcv.o
"-L /opt/intel/fc/9.0/lib"
-L/usr/lib
-Bstatic
-lifport
-lifcore
-Bdynamic
-limf
-lm
-Bstatic
-lirc
-Bdynamic
-lc
-Bstatic
-lirc_s
-Bdynamic
-ldl
-lc
/usr/lib/gcc/i486-linux-gnu/4.2.4/crtend.o
/usr/lib/crtn.o
rm /tmp/ifortndv381gas
rm /tmp/ifortKqfb6yas_
rm /tmp/ifortAlMj35ld
rm /tmp/ifortqGVT0Carg
rm /tmp/ifortMrvjcv.o