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

Teodoro Laino t.laino at sns.it
Thu May 15 13:34:34 CEST 2003


>>>  " YT " == Yamaki Takayoshi <yamaki at sci.hokudai.ac.jp> on  Sat, 5 Apr 2003 :

YT> Dear all,
YT>
YT> I tried to install CPMD 3.7 to PC with Redhat 7.3, ABSOFT.
YT> I ran "Configure" as following:
YT> Configure PC-ABSOFT > Makefile
YT> Then, Makefile was modified in order to be refer to the libraries
YT> correctly.
YT> However, I got a error message,
YT>
YT> ...........
YT> .o mm_init.o mm_dim.o mm_qmmm_forcedr.o mm_mdmain.o mm_coninp.o
YT> mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o
YT> mm_cpmd_ext_pot_f77.o vdwin.o vdw.o  sysdepend.o shmemory.o
YT> -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf90math -llibimsl
YT> -llibimslblas -llibimslf90  -lblas -llibU77

First of all be sure that:

-) in /home/private2/prog/ABSOFT/opt/absoft/lib

   you have the following file:
 	-) libf90math.a
   then change the Makefile line :

   -llibf90math

   with the following:

    -lf90math

It's just a problem of library linking..
Let me know whether this helps..
cheers
			teo

YT> /usr/bin/ld: cannot find -llibf90math
YT> collect2: ld returned 1 exit status
YT>
YT> make: *** [cpmd.x] Error 1
YT> ............
YT>
YT> and compile is not successful.
YT>
YT> I can not understand this message. Please help me solving this problem.
YT>
YT> Modified makefile is the following.
YT>
YT> #-----------------------------------------------------------------------
YT> -----
YT> # Makefile for cpmd.x (plane wave electronic calculation)
YT> # Configuration: PC-ABSOFT
YT> # Creation of Makefile: Apr  4 2003
YT> # on Linux soranuma 2.4.18-3smp #1 SMP Thu Apr 18 07:27:31 EDT 2002
YT> i686 unknown
YT> # Author: soranuma!yamaki
YT> #-----------------------------------------------------------------------
YT> -----
YT> #
YT> SHELL = /bin/sh
YT> #
YT> #--------------- Default Configuration for PC-ABSOFT ---------------SRC
YT>   = .
YT> DEST = .BIN  = .
YT> #QMMM_FLAGS = -D__QMECHCOUPL
YT> #QMMM_LIBS  = -L. -lmm
YT> FFLAGS =
YT> #LFLAGS = -L/usr/absoft/lib -llapack -lblas -lU77 $(QMMM_LIBS)
YT> LFLAGS = -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf90math
YT> -llibimsl -llibimslblas -llibimslf90  -lblas -llibU77 $(QMMM_LIBS)
YT> #LFLAGS = -L/home/private2/prog/ABSOFT/opt/absoft/lib -llibf77math
YT> -llibimsl -llibimslblas -llibimslf90  -lblas -llibU77 $(QMMM_LIBS)
YT> CFLAGS =
YT> CPP = /lib/cpp -P -C
YT> CPPFLAGS = -D__NOINT8 -D__Linux -D__ABSOFT -DLAPACK -DFFT_DEFAULT
YT> NOOPT_FLAG =
YT> CC = cc -O
YT> FC = f90 -c -B108 -B100 -YEXT_NAMES=LCS -O
YT> LD = f90 -O -X-Bstatic
YT> AR =
YT> #-----------------------------------------------------------------------
YT> -----
YT> #
YT> #  LIST OF FILES
YT> #
YT>
YT>
YT> Thank you in advance.
YT>
YT> Sincerely yours.
YT> T.Yamaki
YT>
YT> _______________________________________________
YT> CPMD-list mailing list
YT> CPMD-list at cpmd.org
YT> http://www.cpmd.org/mailman/listinfo/cpmd-list
YT>

               ,        ,          %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
              /(        )`                                              %%
              \ \___   / |                                              %%
              /- _  `-/  '                                              %%
             (/\/ \ \   /\             Teodoro Laino                    %%
             / /   | `    \                                             %%
             O O   ) /    |            PhD. in Molecular Biophysics     %%
             `-^--'`<     '            NEST - Physics Labs              %%
            (_.)  _  )   /             Scuola Normale Superiore di Pisa %%
             `.___/`    /              Piazza dei Cavalieri 7           %%
               `-----' /               56100 Pisa (Italy)               %%
  <----.     __ / __   \                                                %%
  <----|====O)))==) \) /====                                            %%
  <----'    `--' `.__,' \              Tel. +39-329-9624004  (Mobile)   %%
               |        |              Tel. +39-050-509412   (Office)   %%
                \       /                                               %%
           ______( (_  / \______                                        %%
         ,'  ,-----'   |        \      http://www.nest.sns.it/~teo      %%
         `--{__________)        \/                                      %%
                                                                        %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%





More information about the CPMD-list mailing list