[AMBER] Amber10 parallel installation test error

From: Shaandar Nyamtulga <nyam100.hotmail.com>
Date: Thu, 15 Mar 2012 05:48:45 +0000

Hi
Previous error is solved. Now I have the following error from make test.parallel.MM < /dev/null
 .

==============================================================
cd tip4p && ./Run.tip4p_nve
diffing mdout.tip4p_nve.save with mdout.tip4p_nve
PASSED
==============================================================
cd tip5p && ./Run.tip5p
diffing mdout.tip5p.save with mdout.tip5p
PASSED
==============================================================
cd tip5p && ./Run.tip5p_nve
diffing mdout.tip5p_nve.save with mdout.tip5p_nve
PASSED
==============================================================
cd 4096wat && ./Run.pure_wat
diffing mdout.pure_wat.save with mdout.pure_wat
PASSED
==============================================================
cd 4096wat && ./Run.pure_wat_nmr_temp_reg
diffing mdout.pure_wat_nmr_temp.save with mdout.pure_wat_nmr_temp
PASSED
==============================================================
cd 4096wat && ./Run.vrand
diffing mdout.vrand.save with mdout.vrand
PASSED
==============================================================
cd dhfr && ./Run.dhfr
diffing mdout.dhfr.save with mdout.dhfr
PASSED
==============================================================
cd dhfr && ./Run.dhfr.noshake
diffing mdout.dhfr.noshake.save with mdout.dhfr.noshake
PASSED
==============================================================
cd dhfr && ./Run.dhfr.min
diffing mdout.dhfr.min.save with mdout.dhfr.min
PASSED
==============================================================
cd gact_ips && ./Run.ips
diffing mdout.ips.save with mdout.ips
PASSED
==============================================================
cd gact_ips && ./Run.ipsnve
diffing mdout.ipsnve.save with mdout.ipsnve
PASSED
==============================================================
cd gact_ips && ./Run.ips_sgld
diffing mdout.ips_sgld.save with mdout.ips_sgld
PASSED
==============================================================
cd polarizable_water && ./Run.pol_wat
diffing mdout.polwat.save with mdout.polwat
PASSED
==============================================================
cd ubiquitin && ./Run.ubiquitin
diffing mdout.ubiquitin.save with mdout.ubiquitin
PASSED
==============================================================
diffing mden.save with mden
PASSED
==============================================================
diffing mdcrd.save with mdcrd
PASSED
==============================================================
diffing mdvel.save with mdvel
PASSED
==============================================================
cd dna_pol && ./Run.dna_pol

diffing mdout.dna_pol.save with mdout.dna_pol
PASSED
==============================================================
cd trx && ./Run.trx
diffing mdout.trx.save with mdout.trx
PASSED
==============================================================
cd trx && ./Run.trx.cpln
diffing mdout.trx.cpln.save with mdout.trx.cpln
PASSED
==============================================================
cd rdc && ./Run.dip
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
  ./Run.dip: Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory `/mirror/amber11/test'
make: *** [test.sander.BASIC.MPI] Error 2


gcg.dip.o is attached.

Ubuntu 10.10, Beowulf cluster (2 nodes),
Compile options:
configure gnu for Ambertools 1.3
configure_amber -static gfortran
configure_amber -mpich2 gfortran

Can I consider Amber10 parallel installation is OK at this point or work on this error? Is it possible to know my cluster's slave node is doing his function from this test example? DO_PARALLEL='mpiexec -np 4 -f mpd.hosts'

                                               

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Received on Wed Mar 14 2012 - 23:00:02 PDT
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