<div dir="ltr">Dear Users,<br><div><br></div><div>I have been trying to compile cp2k version 2.6.0 on a ubuntu 12.04 virtual machine using the following arch file:<br></div><div><br></div><div><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">CC = cc</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">CPP =</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">FC = mpif90</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">LD = mpif90</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">AR = ar -r</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">DFLAGS = -D__GFORTRAN -D__FFTSG -D__PARALLEL
-D__BLACS -D__SCALAPACK -D__FFTW3 </p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">CPPFLAGS
=</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">FCFLAGS = $(DFLAGS)
-ffree-form -O2 -ffast-math -march=opteron -cpp -g</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">LDFLAGS = $(FCFLAGS)</p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt"><span lang="zh-CN">LIBS = -L/usr/lib -lscalapack-openmpi
-lblacsF77init-openmpi</span><span lang="en-US"> </span><span lang="zh-CN">-lblacs-openmpi
-llapack -lblas -lfftw3</span></p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p>
<p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN">OBJECTS_ARCHITECTURE
= machine_gfortran.o</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"><br></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"><br></p><p style="margin: 0in; font-family: Calibri;" lang="zh-CN"><span style="line-height: normal;">Using this arch file, I am able to compile CP2K 2.5. With this "successful" arch file, in the same computer, I couldn't compile CP2K 2.6. The errors are:</span></p><p style="margin: 0in; font-family: Calibri;" lang="zh-CN"><span style="line-height: normal;"><br></span></p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'gcd_max' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:209.16:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> DO ipe=1,CEILING(SQRT(REAL(npe,dp)))</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol 'ipe'
at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:210.16:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> jpe=npe/ipe</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol 'jpe'
at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:201.27:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> my_blacs_grid_layout=BLACS_GRID_SQUARE</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'my_blacs_grid_layout' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:238.24:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> my_blacs_repeatable = .FALSE.</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'my_blacs_repeatable' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:230.17:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> my_row_major=.TRUE.</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'my_row_major' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:190.10:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> npcol=1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'npcol' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:191.8:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> npe
=blacs_env%n_pid</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol 'npe'
at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:189.10:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> nprow=1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Symbol
'nprow' at (1) has no IMPLICIT type</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">/home/xxx007/cp2k-code/cp2k/src/fm/cp_blacs_env.F:204.20:</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt" lang="zh-CN"> </p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> SELECT CASE (my_blacs_grid_layout)</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"> 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">Error: Argument of
SELECT statement at (1) cannot be UNKNOWN</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">make[3]: ***
[cp_blacs_env.o] Error 1</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">make[2]: *** [all]
Error 2</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">make[1]: *** [popt]
Error 2</p><p style="margin: 0in; font-family: Calibri;" lang="zh-CN">
</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt">make: *** [all]
Error 2</p><p style="margin:0in;font-family:Calibri;font-size:11.0pt"><br></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;">That's very weird. And I have searched these errors, but I couldn't find a solution to this. I have tried gfortran 4.6, gfortran 4.9, openmpi 1.4.3 and openmpi 1.6.5, the errors always occur. </span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;"><br></span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;">Have you guys seen this error? Is there any solution for this error?</span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;"><br></span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;">Thank you! </span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;"><br></span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;">Regards,</span><br></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;"><br></span></p><p style="margin: 0in; font-family: Calibri;"><span style="line-height: normal;">Hang Xiao</span></p></div></div>