[CPMD-list] Too many roots error in GHERMIT

[Rad]

Dear All,

 

I am trying to run CPMD on an Opteron system (32 bit) with LAM MPI
configuration and compiled CPMD-3.11.1 code using Portland group compiler.
When I ran a vibrational calculation I got the following error:

 

***     DETSP| SIZE OF THE PROGRAM IS    2904/  96296 kBYTES ***

MPI_Recv: process in local group is dead (rank 5, comm 3)

MPI_Recv: process in local group is dead (rank 3, comm 3)

Rank (6, MPI_COMM_WORLD): Call stack within LAM:

Rank (6, MPI_COMM_WORLD):  - MPI_Recv()

Rank (6, MPI_COMM_WORLD):  - MPI_Bcast()

Rank (6, MPI_COMM_WORLD):  - MPI_Bcast()

Rank (6, MPI_COMM_WORLD):  - main()

 

 

 PROGRAM STOPS IN SUBROUTINE GHERMIT| too many roots [PROC=   0]

MPI_Recv: process in local group is dead (rank 6, comm 3)

MPI_Recv: process in local group is dead (rank 7, comm 3)

 

I got the same error more than year ago when running CPMD-3.9.2 on IA64
system and I forgot how I fixed the problem. Could anyone make a suggestion
on what this error is and how to get around it?

 

Thanks in advance

Rad

 

Here is a portion of the make file I used for compiling the code:

 

SHELL = /bin/sh

#

#--------------- Default Configuration for PC-PGI-MPI ---------------

SRC  = .

DEST = .

BIN  = .

FFLAGS = -Mr8

LFLAGS = -llapack -lblas

#LFLAGS = -L../../ libatlas_x86_64_mt

CFLAGS =

CPP = /lib/cpp -P -C -traditional

CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT \

               -DPARALLEL -DMYRINET

NOOPT_FLAG =

CC = mpicc -O2 -I/usr/include -I/usr/include/linux

#  -I/usr/include/linux -I/usr/include

FC = mpif77 -c -fast

LD = mpif77 -fast

AR = ar

#---------------------------------------------------------------------------
-

# Personal Configuration

#---------------------------------------------------------------------------
-

#---------------------------------------------------------------------------
-

# End of Personal Configuration

#---------------------------------------------------------------------------
-

CFGDEST = .

CFGMACH = PC-PGI-MPI

CFGQMMM =

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