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Ê×ÏÈÎҲο¼ÁËСľ³æµÄÁ½¸öÌû×Ó http://muchong.com/bbs/viewthread.php?tid=3806483&fpage=1 http://muchong.com/bbs/viewthread.php?tid=3808279&fpage=1 °´ÕÕÌû×Ó×°ÁË×îеÄgcc4.8.2£¬ÒÔ¼°ATLAS with full palack£¬ÒÔ¼°64λµÄopenmpi£¬×îºó»¹ÊÇÓöµ½ÎÊÌ⣬¼ÆËã»ú֪ʶʵÔÚÓÐÏÞ£¬ÌØÀ´Çë½Ì¸÷λר¼Ò ´íÎóÐÅÏ¢ gfortran: ´íÎó£ºunrecognized command line option ¡®-module¡¯ gfortran: ´íÎó£ºunrecognized command line option ¡®-fast¡¯ gfortran: ´íÎó£ºunrecognized command line option ¡®-Munroll¡¯ make[1]: *** [dalton.o] ´íÎó 1 make[1]: Leaving directory `/home/guga/Dalton2011_release/DALTON/abacus' make: *** [MAIN_OBJ] ´íÎó 2 ÎÒµÄMakefile.config: = linux # # CPPFLAGS = -DVAR_PGF90 -DSYS_LINUX -DVAR_MFDS -D'INSTALL_WRKMEM=524000000' -D'INSTALL_MMWORK=131000000' -D_FILE_OFFSET_BITS=64 -DVAR_MPI -DIMPLICIT_NONE -DHAVE_NO_LSEEK64 F90 = mpif90 CC = mpicc LOADER = mpif90 RM = rm -f FFLAGS = -mcmodel=medium -fast -Munroll SAFEFFLAGS = -mcmodel=medium -Mframe CFLAGS = -fast -Munroll -Mvect=idiom -c9x -DRESTRICT=restrict INCLUDES = -I../include MODULES = -module ../modules LIBS = -L/home/guga/mathlib/ATLAS/Temp/lib -llapack -llapack -lf77blas -latlas INSTALLDIR = /home/guga/Dalton2011_release/bin PDPACK_EXTRAS = linpack.o eispack.o gp_zlapack.o gp_dlapack.o GP_EXTRAS = AR = ar ARFLAGS = rvs # flags for ftnchek on Dalton /hjaaj CHEKFLAGS = -nopure -nopretty -nocommon -nousage -noarray -notruncation -quiet -noargumants -arguments=number -usage=var-unitialized # -usage=var-unitialized:arg-const-modified:arg-alias # -usage=var-unitialized:var-set-unused:arg-unused:arg-const-modified:arg-alias # default : dalton linuxparallel.x SAFE_FFLAGS_for_ifort = $(FFLAGS) # # Parallel initialization # MPI_INCLUDE_DIR = MPI_LIB_PATH = MPI_LIB = # # # Suffix rules # hjaaj Oct 04: .g is a "cheat" suffix, for debugging. # 'make x.g' will create x.o from x.F or x.c with -g debug flag set. # .SUFFIXES : .F .F90 .c .o .i .g .s .F.o: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(FFLAGS) -c $*.F .F.i: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) -E $*.F > $*.i .F.g: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(SAFEFFLAGS) -g -c $*.F .F.s: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(FFLAGS) -S -g -c $*.F .F90.o: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(FFLAGS) -c $*.F90 .F90.i: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) -E $*.F90 > $*.i .F90.g: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(SAFEFFLAGS) -g -c $*.F90 .F90.s: $(F90) $(INCLUDES) $(MODULES) $(CPPFLAGS) $(FFLAGS) -S -g -c $*.F90 .c.o: $(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -c $*.c .c.i: $(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -E $*.c > $*.i .c.g: $(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -g -c $*.c .c.s: $(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -S -g -c $*.c СµÜÔÚ´Ëл¹ýÁË |
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superrice: ½ð±Ò+10, ¡ïÓаïÖú 2013-10-24 21:15:31
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superrice
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