[CPMD-list] compilation problem

[Ari P Seitsonen]

Dear Aleksandr,

   Please check Axel's postings
http://cpmd.org/mailman/htdig/cpmd-list/2005-May/002567.html
http://cpmd.org/mailman/htdig/cpmd-list/2007-April/003767.html

   I.e. you might need libg2c.so (libg2c.a?) installed on your machine. [On 
our 64 bit Fedora Core 6 (AMD Opteron) the rpm file is 'compat-libf2c'.] 
But once you have your code running you probably want to either 
compile faster BLAS and LAPACK libraries or use ones provided by hardware 
or compiler vendors: In this case you probably could use the MKL libraries 
by Intel. Then you don't need to bother with this issue of linking.

   By the way, do the options '-tune pn4 -arch pn4' refer to your current 
machine? You might want to see if there is a more suitable option for your 
hardware.

     Greetings from the banlieus of Paris,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   IMPMC, CNRS & Université Pierre et Marie Curie
   Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820

On Tue, 19 Jun 2007, Aleksandr wrote:

> Hi,

I am compiling cpmd v3.11.1 and during the process I got the following
error message:

p_cp.o mdshop_bo.o mm_mdshop_cp.o mm_mdshop_bo.o fusion.o rk4ov.o
shop_adds.o  sysdepend.o    -llapack -lblas -Vaxlib
/opt/intel/fc/9.1.045/lib/liblapack.a(dhseqr.o)(.text+0x443): In
function `dhseqr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormbr.o)(.text+0x22c): In
function `dormbr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormbr.o)(.text+0x587): In
function `dormbr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormlq.o)(.text+0x14f): In
function `dormlq_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormlq.o)(.text+0x490): In
function `dormlq_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormqr.o)(.text+0x146): more
undefined references to `s_cat' follow
/opt/intel/fc/9.1.045/lib/liblapack.a(zhbtrd.o)(.text+0xaad): In
function `zhbtrd_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zhbtrd.o)(.text+0x1c45): In
function `zhbtrd_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zlanhb.o)(.text+0xc1): In function
`zlanhb_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zlanhb.o)(.text+0xe6): In function
`zlanhb_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zlanhb.o)(.text+0x10b): In
function `zlanhb_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zlanhb.o)(.text+0x12c): more
undefined references to `z_abs' follow
/opt/intel/fc/9.1.045/lib/liblapack.a(ztrtri.o)(.text+0x289): In
function `ztrtri_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmtr.o)(.text+0x1c9): In
function `zunmtr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmtr.o)(.text+0x4a7): In
function `zunmtr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dlamch.o)(.text+0xfc3): In
function `dlamc2_':
: undefined reference to `s_wsfe'
/opt/intel/fc/9.1.045/lib/liblapack.a(dlamch.o)(.text+0xfda): In
function `dlamc2_':
: undefined reference to `do_fio'
/opt/intel/fc/9.1.045/lib/liblapack.a(dlamch.o)(.text+0xfe2): In
function `dlamc2_':
: undefined reference to `e_wsfe'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x3a): In function
`ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x125): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x136): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x14a): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x175): In
function `ilaenv_':
: undefined reference to `s_cmp'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x197): In
function `ilaenv_':
: undefined reference to `s_cmp'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x1bc): In
function `ilaenv_':
: undefined reference to `s_cmp'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x1dc): In
function `ilaenv_':
: undefined reference to `s_cmp'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x1f5): In
function `ilaenv_':
: undefined reference to `s_cmp'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0x20e): more
undefined references to `s_cmp' follow
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0xd1a): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0xd36): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0xd52): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0xd6e): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(ilaenv.o)(.text+0xd8a): In
function `ilaenv_':
: undefined reference to `s_copy'
/opt/intel/fc/9.1.045/lib/liblapack.a(xerbla.o)(.text+0xc): In function
`xerbla_':
: undefined reference to `s_wsfe'
/opt/intel/fc/9.1.045/lib/liblapack.a(xerbla.o)(.text+0x1e): In function
`xerbla_':
: undefined reference to `do_fio'
/opt/intel/fc/9.1.045/lib/liblapack.a(xerbla.o)(.text+0x30): In function
`xerbla_':
: undefined reference to `do_fio'
/opt/intel/fc/9.1.045/lib/liblapack.a(xerbla.o)(.text+0x35): In function
`xerbla_':
: undefined reference to `e_wsfe'
/opt/intel/fc/9.1.045/lib/liblapack.a(xerbla.o)(.text+0x43): In function
`xerbla_':
: undefined reference to `s_stop'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormtr.o)(.text+0x1c9): In
function `dormtr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormtr.o)(.text+0x47b): In
function `dormtr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zgetf2.o)(.text+0x201): In
function `zgetf2_':
: undefined reference to `z_abs'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmql.o)(.text+0x414): In
function `zunmql_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmql.o)(.text+0x4aa): In
function `zunmql_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmqr.o)(.text+0x146): In
function `zunmqr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(zunmqr.o)(.text+0x491): In
function `zunmqr_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormql.o)(.text+0x3ec): In
function `dormql_':
: undefined reference to `s_cat'
/opt/intel/fc/9.1.045/lib/liblapack.a(dormql.o)(.text+0x482): more
undefined references to `s_cat' follow
make: *** [cpmd.x] Error 1


Here is my Makefile:

#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: PC-IFC-P4
# Creation of Makefile: ÿÿÿÿÿÿÿÿÿÿÿÿ  7 2007
# on Linux Ranger 2.4.21-47.0.1.EL.cernsmp #1 SMP Thu Oct 19
16:35:52 CEST 2006 i686 i686 i386 GNU/Linux
# Author: root
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for PC-IFC-P4 ---------------
SRC  = .
DEST = .
BIN  = .
FFLAGS = -c -w90 -w95 -O2 -pc64 -unroll -tune pn4 -arch pn4
LFLAGS = -llapack -lblas -Vaxlib
CFLAGS = -c -O2 -Wall
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT -DLINUX_IFC
NOOPT_FLAG =
CC = gcc
FC = ifort
LD = ifort -i-static
AR = ar
#----------------------------------------------------------------------------

Any suggestions would be appreciated!

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