[molpro-user] binary installation issue

[Andy May]

Zach,

Firstly please check that TMPDIR is correctly set to somewhere writeable.

When running the job, was a methylene.out file created, and if so what 
did it contain? When I run your input the input checker finds problems 
with your input file, and the message you get about 'checkinp' is likely 
as a result of this. Please try running the trivial input:

geometry={he}
rhf

If this runs, you know the problem is with your input file.

Best wishes,

Andy

On 12/11/11 00:48, Piazza, Zachary wrote:
> Hello,
>
> I recently got my Molpro binary license. I downloaded Version 2010.1 for
> architecture Linux/x86/64, standard code, mpp (Patchlevel 24).
>
> I followed the directions to install and it appeared to go smoothly.
> When I try to run a test calculation in serial I get errors.
>
> zachary at GC249ZACH:~/usr/bin$ ./molpro -s methylene.inp
>
> tmp =
> /home/zachary/pdir//usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe.p
>   Creating: host=GC249ZACH, user=zachary,
>
> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe,
> port=56781
> 0:0:checkinp:: 1996670592
> (rank:0 hostname:GC249ZACH pid:25439):ARMCI DASSERT fail.
> src/armci.c:ARMCI_Error():276 cond:0
> Last System Error Message from Task 0:: Inappropriate ioctl for device
>    0: ARMCI aborting 1996670592 (0x7702c680).
>    0: ARMCI aborting 1996670592 (0x7702c680).
> system error message: Inappropriate ioctl for device
>    1: interrupt(1)
> WaitAll: No children or error in wait?
>
>
>
> When I try to run the same calculation in parallel I also get errors.
>
> zachary at GC249ZACH:~/usr/bin$ ./molpro -n 4 methylene.inp
> tmp =
> /home/zachary/pdir//usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe.p
>   Creating: host=GC249ZACH, user=zachary,
>
> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe,
> port=45656
>   Creating: host=GC249ZACH, user=zachary,
>
> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe,
> port=49066
>   Creating: host=GC249ZACH, user=zachary,
>
> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe,
> port=45258
>   Creating: host=GC249ZACH, user=zachary,
>
> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe,
> port=40361
> 0:0:checkinp:: -812372608
> 2:2:checkinp:: 1492199168
> 1:1:checkinp:: 351781120
> 3:3:checkinp:: -1920605824
> (rank:0 hostname:GC249ZACH pid:25690):ARMCI DASSERT fail.
> src/armci.c:ARMCI_Error():276 cond:0
> (rank:2 hostname:GC249ZACH pid:25692):ARMCI DASSERT fail.
> src/armci.c:ARMCI_Error():276 cond:0
> Last System Error Message from Task 0:: Inappropriate ioctl for device
>    0: ARMCI aborting -812372608 (0xffffffffcf942d80).
>    0: ARMCI aborting -812372608 (0xffffffffcf942d80).
> system error message: Inappropriate ioctl for device
> (rank:3 hostname:GC249ZACH pid:25693):ARMCI DASSERT fail.
> src/armci.c:ARMCI_Error():276 cond:0
> (rank:1 hostname:GC249ZACH pid:25691):ARMCI DASSERT fail.
> src/armci.c:ARMCI_Error():276 cond:0
> Last System Error Message from Task 2:: Inappropriate ioctl for device
> Last System Error Message from Task 1:: Inappropriate ioctl for device
> Last System Error Message from Task 3:: Inappropriate ioctl for device
>    2: ARMCI aborting 1492199168 (0x58f12700).
>    2: ARMCI aborting 1492199168 (0x58f12700).
>    1: ARMCI aborting 351781120 (0x14f7c100).
>    3: ARMCI aborting -1920605824 (0xffffffff8d85e180).
>    3: ARMCI aborting -1920605824 (0xffffffff8d85e180).
> system error message: Inappropriate ioctl for device
>    1: ARMCI aborting 351781120 (0x14f7c100).
> system error message: Inappropriate ioctl for device
> system error message: Inappropriate ioctl for device
>    4: interrupt(1)
> WaitAll: Child (25692) finished, status=0x100 (exited with code 1).
> WaitAll: Child (25693) finished, status=0x100 (exited with code 1).
> WaitAll: Child (25690) finished, status=0x100 (exited with code 1).
> WaitAll: No children or error in wait?
>
>
>
> Below is a copy of my input file.
>
> ***, methylene in 631g** basis
>
> print,basis,orbitals,civector
>
> basis=631g**
>
> geomtyp=xyz
> geometry={
> 3
> ch2
> c,0.0,0.0,0.0
> h,0.0,0.966748,0.463168
> h,0.0,-0.966748,0.463168
> }
>
> int,
> pri,0;
>
> rhf
> wf,8,2,2;
> occ,3,1,1,0;
> closed,2,0,1,0;
> optg;
> freqscf;
> pop;
> individual;
>
> ---
>
>
> Any help is much appreciated!
>
> best,
> Zach
>
>
>
>
>
>
>
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