[CPMD-list] Install with Redhat 7.3 and ABSOFT compiler

[Axel Kohlmeyer]

On Sat, 5 Apr 2003 00:42:23 +0900  Yamaki Takayoshi wrote:

> Dear all,
> 
> I tried to install CPMD 3.7 to PC with Redhat 7.3, ABSOFT.
> I ran "Configure" as following:
> Configure PC-ABSOFT > Makefile
> Then, Makefile was modified in order to be refer to the libraries  
> correctly.
> However, I got a error message,
> 
> ...........
> .o mm_init.o mm_dim.o mm_qmmm_forcedr.o mm_mdmain.o mm_coninp.o  
> mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o  
> mm_cpmd_ext_pot_f77.o vdwin.o vdw.o  sysdepend.o shmemory.o  
> -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf90math -llibimsl  
> -llibimslblas -llibimslf90  -lblas -llibU77
> /usr/bin/ld: cannot find -llibf90math
> collect2: ld returned 1 exit status
> 
> make: *** [cpmd.x] Error 1
> ............
> 
> and compile is not successful.
> 
> I can not understand this message. Please help me solving this problem.

well. you have to know, how library names are resolved under linux/unix:

the linker is looking for a library named liblibf90math.a or
liblibf90math.so. if my guess right, the library is named libf90math.a
and you have to change the linker command from:

> -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf90math -llibimsl  
> -llibimslblas -llibimslf90  -lblas -llibU77


to something like:

> -L/home/private2/prog/ABSOFT/opt/absoft/lib -lf90math -limsl
> -limslblas -limslf90  -lU77

to explain: the 'lib' in the library filename and the 
extension '.a' or '.so' is already implied by the '-l' flag. 

hope this helps,
	axel kohlmeyer.

> 
> Modified makefile is the following.
> 
> #----------------------------------------------------------------------- 
> -----
> # Makefile for cpmd.x (plane wave electronic calculation)
> # Configuration: PC-ABSOFT
> # Creation of Makefile: Apr  4 2003
> # on Linux soranuma 2.4.18-3smp #1 SMP Thu Apr 18 07:27:31 EDT 2002  
> i686 unknown
> # Author: soranuma!yamaki
> #----------------------------------------------------------------------- 
> -----
> #
> SHELL = /bin/sh
> #
> #--------------- Default Configuration for PC-ABSOFT ---------------SRC  
>   = .
> DEST = .BIN  = .
> #QMMM_FLAGS = -D__QMECHCOUPL
> #QMMM_LIBS  = -L. -lmm
> FFLAGS =
> #LFLAGS = -L/usr/absoft/lib -llapack -lblas -lU77 $(QMMM_LIBS)
> LFLAGS = -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf90math  
> -llibimsl -llibimslblas -llibimslf90  -lblas -llibU77 $(QMMM_LIBS)
> #LFLAGS = -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf77math  
> -llibimsl -llibimslblas -llibimslf90  -lblas -llibU77 $(QMMM_LIBS)
> CFLAGS =
> CPP = /lib/cpp -P -C
> CPPFLAGS = -D__NOINT8 -D__Linux -D__ABSOFT -DLAPACK -DFFT_DEFAULT
> NOOPT_FLAG =
> CC = cc -O
> FC = f90 -c -B108 -B100 -YEXT_NAMES=LCS -O
> LD = f90 -O -X-Bstatic
> AR =
> #----------------------------------------------------------------------- 
> -----
> #
> #  LIST OF FILES
> #
> 
> 
> Thank you in advance.
> 
> Sincerely yours.
> T.Yamaki
> 
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://www.cpmd.org/mailman/listinfo/cpmd-list
> 

--

=======================================================================
Axel Kohlmeyer      e-mail:  axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.