[CPMD-list] linux-cpmd help

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Dear All
    I compile the cpmd source codes under the p4 1.6G intel cpu,linux 7.3 system,and the Lahey Linux Fortran95 compiler, but when I changed my configure file in term of the suggestions of the past cpmd-list mail, but every times, I met the same questions like below.
[yuming at localhost source]$ ./configure
Configure  [options] Name_of_Configuration
where the name of the configuration is:
   IBM-RISC                   IBM-SP2
   IBM-SP3                    IBM-SP3-SMP
   IBM-270                    CRAY-YMP
   CRAY-C94                   CRAY-T90
   CRAY-T3D                   CRAY-T3E
   CRAY-T3E-PACX              SGI-ORIGIN
   SGI-ORIGIN-MPI             DEC-ALPHA
   DEC-ALPHA-MPI              COMPAQ-SC80
   SUN                        NEC-SX4
   NEC-SX5                    NEC-SX5-MPI
   HP                         HP-MPI 
   HITACHI-SR2201             HITACHI-SR8000
   FUJITSU-VPP5000            FUJITSU-VPP
   FUJITSU-VPP-MPI            FUJITSU-VPP-JPN
   FUJITSU-VPP-MPJP           PC-ABSOFT
   PC-PGI                     PC-PGI-MPI
   PC-IFC                     ITANIUM-EFC
   LINUX-ALPHA                LINUX-ALPHA-MPI
   LINUX-REDHAT
Use Configure in the directory where the SOURCE FILES are.
Ex: Configure SUN > Makefile
See the description of options with Configure -help
]0;yuming at localhost:~/cpmd/source[yuming at localhost source]$ ./configure PC-PGI > Makefile
Default configuration for PC-PGI.
Use standard output for the Makefile.
The source directory is: .
The object directory is: .
The file ./irat.inc is correct.
The file ./gromos.h is consistent with normal qm.
Add OBJECTS (object files)...done.
Add INCFILES (include files)...done.
Add explicit rules...done.
Create dependencies...done dep main.
done.
O.K.
]0;yuming at localhost:~/cpmd/source[yuming at localhost source]$ make
lf95 -c -fast -Mr4 -pc32 -Msignextend -Msecond_underscore  ./csize.f -o  ./csize.o
f95: warning: -pc32 cannot be specified.
f95: warning: Invalid suboption ast specified for -f.
f95: Compilation abnormally ended due to SIGSEGV.

Internal compiler error.
Please forward the code to:
 Lahey Technical Support.
 865 Tahoe Blvd.
 P. O. Box 6091
 Incline Village NV 89451
 Email: support at lahey.com
rm -f timetag.f
/lib/cpp -P -C -traditional -D__Linux -D__NOINT8 -D__PGI -DLAPACK -DFFT_DEFAULT   ./timetag.F ./timetag.f
lf95 -c -fast -Mr4 -pc32 -Msignextend -Msecond_underscore  ./timetag.f
f95: warning: -pc32 cannot be specified.
f95: warning: Invalid suboption ast specified for -f.
Encountered 0 errors, 0 warnings in file ./timetag.f.
rm -f cpmd.x
if [ "." != "." ]; then ln -s ./cpmd.x cpmd.x; fi
lf95 -fast -o ./cpmd.x timetag.o cpmd.o softex.o envir.o setcnst.o control.o control_def.o control_pri.o control_bcast.o control_test.o header.o inscan.o memory.o freem.o readsr.o timer.o ttimp.o timec.o stopgm.o util.o dftin.o sysin.o ratom.o recpnew.o ghermit.o detsp.o coninp.o prmem.o setsys.o genxc.o setsc.o numpw.o cry.o latgen.o recips.o functionals.o lsd_func.o rinit.o rinforce.o fftprp.o rggen.o formf.o rnlset.o ylmr.o glopar.o rnlin.o sort.o radin.o bessm.o ylmr2.o pbc.o ortho.o finalp.o forcep.o rhopri.o phfac.o wrener.o rrane.o ranp.o rinitwf.o mltfft.o wrgeo.o rnlsm1.o rnlsm2.o fft.o ffts.o fftsg.o forces.o lowdin.o rgs.o rgsvan.o atomwf.o atrho.o xcener.o graden.o gcener.o hesele.o noforce.o rhoofr.o vpsi.o nlforce.o rotate.o hnlmat.o ovlap.o dotp.o fnonloc.o gsize.o csize.o rscpot.o csmat.o ksmat.o vofrho.o vofrhoa.o vofrhob.o vofrhoh.o vofrhot.o initclust.o jacobi.o rnlrh.o rnlfor.o potfor.o ppener.o reigs.o geofile.o rpiiint.o eicalc.o testex.o densto.o proja.o atoms.o fitpack.o wv30.o rv30.o wr30wfn.o setbasis.o gfft.o fftchk.o nfunc.o gcxctbl.o rhoofr_c.o jacobi_c.o velocitinp.o setirec.o compress.o interp3d.o ptheory.o clinbcg.o elstpo.o exterp.o mulliken.o espchg.o atomc.o eextern.o interpt.o egointer.o fileopen.o scratch.o forcedr.o initrun.o ldos.o fnlalloc.o dqgalloc.o anneal.o ylmr3.o rnlsm.o vofrhos.o get_addr.o teststore.o loadse.o rnlsmd.o wfnio.o density_functionals.o wfopts.o rwfopt.o updwf.o odiis.o pcgrad.o gmopts.o rgmopt.o fstart.o struc.o empfor.o puttau.o constr.o rrfo.o rbfgs.o rgdiis.o sdion.o hessin.o hessout.o hessup.o dum2.o detdof.o cnstfc.o fixcom.o cnstpr.o moverho.o elf.o lsd_elf.o mdpt.o mdmain.o dynit.o shake.o rattle.o resetac.o dispp.o nosalloc.o noseinit.o nospinit.o noseng.o nosepa.o noseup.o enosmove.o pnosmove.o ekinpp.o freqs.o printave.o printp.o rekine.o rinvel.o rscvp.o rscve.o deort.o quenbo.o velupa.o velupi.o posupa.o posupi.o rortog.o rortv.o crotwf.o noscinit.o prpcnosmove.o prpcmove.o prpnosmove.o prcnosmove.o ddipo.o opeigr.o sample.o sd_wannier.o wan
nier_center.o wannier_print.o purge.o wc_dos.o fusion.o mdshop.o davidson.o ksdiag.o vgsortho.o hpsi.o spsi.o gsortho.o rhov1.o secdpt.o secder.o sdlinres.o sd_ii.o sd_loc2.o sd_nl2.o rnlsm_2d.o nl_res.o sd_loc.o sd_nl.o rho1ofr.o v1ofrho1.o lr_force.o opt_lr.o lr_upd.o dd_xc.o eind_ii.o eind_loc.o eind_nl.o lr_in.o lr_xcpot.o lr_ortho.o lr_pcg.o canon.o proppt.o prowfn.o dipo.o lodipo.o exdipo.o cmaos.o difrho.o conduct.o polarise.o calc_pij.o localize.o jrotation.o orbhard.o ohfd.o ohlr.o specpt.o td_dav.o td_nhdav.o lr_diag.o vhk.o gettrans.o rho1pri.o rw_linres.o td_force.o tdnlfor.o td_pcg.o orbrot.o vtd2.o zmateq.o stcop.o readvan.o aainit.o vdbinit.o rhov.o qvan1.o qvan2.o newd.o rnlfl.o augchg.o readvdb.o nlccset.o copot.o corec.o cofor.o nlccstr.o startpa.o loadpa.o sumfnl.o glosum.o summat.o my_para.o glomax.o glomin.o groups.o hipin.o hip.o mtin.o stress.o vlocst.o htrstr.o xcstr.o drhov.o nlsl.o nlsm1_s.o dqvan2.o dylmr.o ffsum.o qrada_s.o totstr.o putbet.o ranc.o newcell.o sdcell.o prpt.o prcpmd.o npt_md.o symmetry.o chksym.o symtrz.o multtb.o molsym.o lsfbtr.o friesner.o friesner_c.o  ehpsi.o    rrandd.o updrho.o anderson.o adjmu.o    forces_diag.o mddiag.o   extrap.o bogol.o  calc_alm.o vbeta.o    rhodiis.o     rwswap.o   frsblk.o frsblk_c.o mixing_r.o mixing_g.o    broyden.o enbandpri.o   rkpnt.o    k290.o   k290_2.o  kpclean.o pi_cntl.o pi_init.o pi_mdpt.o pi_wf.o pi_md.o pi_diag.o rreadf.o repgen.o fharm.o global.o stagetrans.o pinmtrans.o getfu.o getfnm.o getgyr.o getcor.o prtgyr.o evirial.o wr_temps.o cl_init.o mdclas.o readff.o clas_force.o h0psi1_p.o v1ofrho_p.o fnonloc_p.o do_gga_p.o mddiag-interaction_p.o gndstate_p.o legendre_p.o interaction_p.o rotate_my_wannier_p.o BYLM_p.o hess_eta_p.o inr_dr.o lanc_phon_p.o dmudn_p.o hesele_p.o do_perturbation_p.o pcgrad_p.o rnlsm_p.o vpsi_p.o perturbation_p.o eigensystem_p.o phonons_p.o rwfopt_p.o d_mat_p.o updwf_p.o forces_p.o rhoofr_p.o raman_p.o opeigr_p.o nmr_p.o nmr_util_p.o nmr_chi_p.o nmr_shift_p.o nmr_current_p.o nmr_para_p.o hardness_p.o res
pin_p.o response_p.o kdp_diag.o kdp_prep.o kdp_rho.o kdp_stress_kin.o kdpoints.o rhoofr_kdp.o mm_detsp.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  sysdepend.o shmemory.o -llapack -lblas   
/usr/local/lf9560/bin/../lib/libfj9i6.so: the use of `tempnam' is dangerous, better use `mkstemp'
csize.o(.init+0x6): undefined reference to `__pgio_ini'
recpnew.o: In function `agrid_':
recpnew.o(.text+0x2bdb): undefined reference to `derf_'
recpnew.o(.text+0x2ced): undefined reference to `derf_'
recpnew.o(.text+0x2e1b): undefined reference to `derf_'
recpnew.o(.text+0x2fd9): undefined reference to `derf_'
recpnew.o(.text+0x300d): undefined reference to `derf_'
recpnew.o(.data+0x44): more undefined references to `derf_' follow
rpiiint.o: In function `rpiiint_':
rpiiint.o(.text+0x569): undefined reference to `derfc_'
rpiiint.o(.data+0xc): undefined reference to `derfc_'
testex.o: In function `testex_':
testex.o(.text+0x47): undefined reference to `rmfile_'
testex.o(.data+0xc): undefined reference to `rmfile_'
wv30.o: In function `zhwwf_':
wv30.o(.text+0x4d7): undefined reference to `cpfile_'
wv30.o(.data+0x0): undefined reference to `cpfile_'
egointer.o: In function `clcpot_':
egointer.o(.text+0x1a8d): undefined reference to `derf_'
egointer.o(.text+0x1abc): undefined reference to `derf_'
egointer.o(.data+0x1648): undefined reference to `derf_'
sample.o: In function `sample_go_':
sample.o(.text+0x4fc): undefined reference to `rmfile_'
sample.o(.data+0xa2c): undefined reference to `rmfile_'
sd_ii.o: In function `sd_ii_':
sd_ii.o(.text+0x564): undefined reference to `derfc_'
sd_ii.o(.data+0xc): undefined reference to `derfc_'
eind_ii.o: In function `eind_ii_':
eind_ii.o(.text+0x3fb): undefined reference to `derfc_'
eind_ii.o(.data+0xc): undefined reference to `derfc_'
hipin.o: In function `hockney_':
hipin.o(.text+0x637): undefined reference to `derf_'
hipin.o(.text+0x6d6): undefined reference to `derf_'
hipin.o(.text+0x78f): undefined reference to `derf_'
hipin.o(.data+0x14): undefined reference to `derf_'
hipin.o(.data+0x94): undefined reference to `derf_'
mtin.o(.text+0x1028): more undefined references to `derf_' follow
stress.o: In function `stress_':
stress.o(.text+0x30e9): undefined reference to `derfc_'
stress.o(.data+0x50): undefined reference to `derfc_'
xcstr.o: In function `xcstr_':
xcstr.o(.text+0x16d): undefined reference to `zazzero_'
xcstr.o(.data+0x14): undefined reference to `zazzero_'
rwswap.o: In function `del_swap_':
rwswap.o(.text+0x2598): undefined reference to `rmfile_'
rwswap.o(.data+0x175c): undefined reference to `rmfile_'
vpsi_p.o(.data+0x30): undefined reference to `derf_'
vpsi_p.o(.data+0x238): undefined reference to `derf_'
d_mat_p.o: In function `d_mat_diag_real_':
d_mat_p.o(.text+0x1536): undefined reference to `derfc_'
d_mat_p.o: In function `d_mat_real_':
d_mat_p.o(.text+0x1847): undefined reference to `derfc_'
d_mat_p.o(.data+0x344): undefined reference to `derfc_'
d_mat_p.o(.data+0x414): undefined reference to `derfc_'
/usr/lib/liblapack.so: undefined reference to `e_wsfe'
/usr/lib/liblapack.so: undefined reference to `z_abs'
/usr/lib/liblapack.so: undefined reference to `c_sqrt'
/usr/lib/liblapack.so: undefined reference to `s_cmp'
/usr/lib/liblapack.so: undefined reference to `r_lg10'
/usr/lib/liblapack.so: undefined reference to `z_exp'
/usr/lib/liblapack.so: undefined reference to `c_exp'
/usr/lib/liblapack.so: undefined reference to `do_fio'
/usr/lib/liblapack.so: undefined reference to `pow_dd'
/usr/lib/liblapack.so: undefined reference to `z_sqrt'
/usr/lib/liblapack.so: undefined reference to `s_cat'
/usr/lib/liblapack.so: undefined reference to `s_stop'
/usr/lib/liblapack.so: undefined reference to `c_abs'
/usr/lib/liblapack.so: undefined reference to `d_lg10'
/usr/lib/liblapack.so: undefined reference to `s_wsfe'
/usr/lib/liblapack.so: undefined reference to `s_copy'
]0;yuming at localhost:~/cpmd/source[yuming at localhost source]$ head -50 Makefile
#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: PC-PGI
# Creation of Makefile: Aug 15 2002
# on Linux localhost.localdomain 2.4.18-3 #1 Thu Apr 18 07:37:53 EDT 2002 i686 unknown
# Author: 
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for PC-PGI ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -Mr4 -pc32 -Msignextend -Msecond_underscore 
LFLAGS = -llapack -lblas $(QMMM_LIBS)
CFLAGS = 
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__NOINT8 -D__PGI -DLAPACK -DFFT_DEFAULT  
CC = gcc -O2 -Wall
FC = lf95 -c -fast
LD = lf95 -fast
AR = 
#----------------------------------------------------------------------------
#
#  LIST OF FILES
#
OBJECTS = $(OBJ_AL) $(OBJ_WF) $(OBJ_GM) $(OBJ_MD) $(OBJ_KS) \
          $(OBJ_VA) $(OBJ_PP) $(OBJ_VD) $(OBJ_NC) $(OBJ_PA) \
          $(OBJ_IS) $(OBJ_ST) $(OBJ_SY) $(OBJ_AT) $(OBJ_LA) \
          $(OBJ_KP) $(OBJ_PI) $(OBJ_CL) $(OBJ_PE) $(OBJ_KD) \
          $(OBJ_MM) $(INTERFACE_OBJECTS)
OBJ_AL  = cpmd.o softex.o envir.o setcnst.o control.o \
          control_def.o control_pri.o control_bcast.o control_test.o \
          header.o inscan.o memory.o freem.o readsr.o timer.o \
          ttimp.o timec.o stopgm.o util.o dftin.o sysin.o ratom.o \
          recpnew.o ghermit.o detsp.o coninp.o prmem.o setsys.o \
          genxc.o setsc.o numpw.o cry.o latgen.o recips.o \
          functionals.o lsd_func.o rinit.o rinforce.o fftprp.o \
          rggen.o formf.o rnlset.o ylmr.o glopar.o rnlin.o sort.o \
          radin.o bessm.o ylmr2.o pbc.o ortho.o finalp.o forcep.o \
          rhopri.o phfac.o wrener.o rrane.o ranp.o rinitwf.o mltfft.o \
          wrgeo.o rnlsm1.o rnlsm2.o fft.o ffts.o fftsg.o forces.o lowdin.o \
          rgs.o rgsvan.o atomwf.o atrho.o xcener.o graden.o gcener.o \
          hesele.o noforce.o rhoofr.o vpsi.o nlforce.o rotate.o \
          hnlmat.o ovlap.o dotp.o fnonloc.o gsize.o csize.o rscpot.o \
          csmat.o ksmat.o vofrho.o vofrhoa.o vofrhob.o vofrhoh.o \
          vofrhot.o initclust.o jacobi.o rnlrh.o rnlfor.o \

would you like to help me, thanks.
best regards.
xiong

Xiong Yuming
ymxiong at icpm.syb.ac.cn