Hello guys;
Recently I compiled a molecular simulation software named LAMMPS at my Virtual machine successfully.
When I tried to compile it on pysical machine, but it was failed. Error: ld : cannot find -lblas.
Checking libblas.a or libblas.so whether exsited, I found both machines didn't content these two files. Is there something
wrong I did when installing compiler or some relationship between static library I didn't establish?
My OS is RHEL 6.0 with the latest non-commercial intel C++ and intel fortran. Looking forward to your reply.

When searching for a file in a yum based OS like RHEL 6 you can run "yum provides" to see what rpm provides it.

"yum provides "*/libblas*"

Doing that on my RHEL 6 server shows it is from the "blas" package which is "The Basic Linear Algebra Subprograms library".

You could run "yum list blas" to see which versions of this are available and/or installed already. You can run "yum install blas" to install the latest one.

However you say the files don't exist on the first system you compiled this on so it seems that your error isn't due to missing file. Was there something else in the output of the compile before the ld failure?

1 members found this post helpful.

Thanks for your useful advice sincerely, problems have been solved successfully. It's my faults that I didn't check the relational librarys comprehensively.Some crucial librarys missed in the second machine, and I fixed it using your suggestion or commands.Could you recommend some books can be resolve question listed below:
Due to work request, I need compile some molecular simulation software. But how to understand or change the Makefile is a bother question. Many
symbols or abbreviations are beyond my knowledge. For example :


SHELL=/bin/sh

CC = g++
CCFLAGS = -g -O
LINK = g++
LINKFLAGS = -g -O
DEPFLAG = -MM
SIZE = size

SRC = main.cpp nanotube.cpp
OBJ = $(SRC:%.cpp=%.o)
EXE = NT
#--------------------------------------------
#Link target
$(EXE): $(OBJ)
$(LINK) $(LINKFLAGS) $(OBJ) -o $@
$(SIZE) $@
#Compile rulse
%.o: %.cpp
$(CC) $(CCFLAGS) -c $<
%.d: %.cpp
$(CC) $(CCFLAGS) $(DEPFLAG) $< > $@
clean:
-rm $(OBJ) *.d $(EXE)
#--------------------------------------------
#Individual dependence
DEPEDENCE = $(OBJ:%.o=%.d)
sinclude $(DEPEDENCE)


SUBDIRS = $(NW_CORE_SUBDIRS) $(NW_MODULE_SUBDIRS)
all: pre_build
@nmake -nologo foreach_subdir
nmake -nologo link

build:
@nmake -nologo foreach_subdir
nmake -nologo link

OBJ = $(OBJDIR)\nwchem.obj \
$(OBJDIR)\stubs_win32.obj

COMPILATION_DATE = (unknown)
CODE_BRANCH = (unknown)
!IFDEF PYTHONHOME
WITHPYTHON = -DWITHPYTHON
!ENDIF
LIB_DEFINES = -DCOMPILATION_DATE="'$(COMPILATION_DATE)'" \
-DCOMPILATION_DIR="'$(TOPDIR)'" \
-DNWCHEM_BRANCH="'$(CODE_BRANCH)'" $(WITHPYTHON)


OR some compiling Flags : icc -O -DLAMMPS_GZIP -DLAMMPS_JPEG -DLMP_USER_OMP -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam -DMPICH_SKIP_MPICXX -DFFT_FFTW3 -M angle_cg_cmm.cpp > angle_cg_cmm.d

Looking forward your reply!!!

The best place to start is with "man" and "info" pages. UNIX/Linux have manual (man) pages for most commands and libraries. Linux also has info pages that may have more detail about some commands/libraries beyond what is shown in the man pages.

Typing "man cc" will give you information about the compiler (gcc is linked to cc - the g stands for Gnu which lets you know it is open source - there are also proprietary versions of C such as Ansi C on some platforms but nearly all are linked to cc where installed.)

Typing "man ld" will give you information about the linker.

Typing "man make" will give you information about that command.

I'm not really a "developer" so my knowledge of compiling/making is somewhat limited. If you run into a specific question about a feature/issue you run across you might want to open a new thread as it might get you better information than I could provide as it will have higher visibility than additions to this thread.

1 members found this post helpful.

You don't say what it is you need to change in the makefile. If you're using Intel's compilers rather than the GNU ones, then the commands are icc and ifort for C++ or Fortran, respectively. Is it not possible for you to get help from the group that wrote LAMPPS, or others in your own research group (as I imagine some of them use it)? Also, the plural of "library" is "libraries", not "librarys".

Thank you all the same

Thanks for your advice, and I'll pay attention to the rules of English grammar.