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Re: [abinit-forum] abinit on Mac G5


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  • From: Gerbrand Ceder <gceder@MIT.EDU>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] abinit on Mac G5
  • Date: Fri, 6 Aug 2004 18:26:11 -0400

Title: Re: [abinit-forum] abinit on Mac G5


Hi Jim,


Thanks for that email.  We are currently looking into the G5 as a possiblity
for a rather large cluster.  Do you know of anyone that has
compiled VASP on the G5 ?

Best regards,

Gerd


Dear Mac G5 users,
 
I have successfully compiled abinit on the Mac G5 using the NAG f95 compiler (with a bit of effort).  However, when I run it on the test case ./Test_in/test1.files I get the following error message complaining about the array pawrad:
 
================================================================================
== DATASET  1 ==================================================================
 
 
 getdim_nloc : COMMENT -
  Despite there is only a local part to pseudopotential(s),
  lmnmax and lnmax are set to 1.
 
 iofn2 : deduce lmnmax  =   1, lnmax  =   1,
                lmnmaxso=   1, lnmaxso=   1.
ALLOCATABLE array PAWRAD is not currently allocated
Program terminated by fatal error
Abort trap
 
 
 
Anyone have an idea as to what is going wrong?
 
I've attached the script file to this e-mail.
 
Sincerely,
Jim Raynolds

Attachment converted: Macintosh HD:typescript.txt (TEXT/ttxt) (000749D7)




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