Task 38680939

Name test_842-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3013_0
Workunit 31622634
Created 27 Oct 2026, 2:07:14 UTC
Sent 27 Oct 2026, 2:07:18 UTC
Report deadline 1 Nov 2026, 2:07:18 UTC
Received 27 Oct 2026, 2:39:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 30 min 48 sec
CPU time 25 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.68 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:08:18 (23372): wrapper (7.9.26016): starting
20:08:18 (23372): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
20:08:19 (23372): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:08:19 (23372): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:38:19 (23372): C:/Windows/system32/cmd.exe exited; CPU time 1531.859375
20:38:19 (23372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 28423523 bytes.
Dumping objects ->
{3835228} normal block at 0x0000022A43544630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000022A435444E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000022A43544B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000022A435447F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000022A43544BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000022A451E6980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000022A451FEC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835139} normal block at 0x0000022A4353F090, 8 bytes long.
 Data: <  &#160;C*   > 00 00 A0 43 2A 02 00 00 
{3834539} normal block at 0x0000022A451FE310, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022A4353F400, 8 bytes long.
 Data: <PW$E*   > 50 57 24 45 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022A43540AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A43536A60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022A43545520, 16 bytes long.
 Data: < eTC*           > 88 65 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A43545B60, 16 bytes long.
 Data: <`eTC*           > 60 65 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A4353F9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022A43545CA0, 16 bytes long.
 Data: <8eTC*           > 38 65 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A43546060, 16 bytes long.
 Data: < eTC*           > 10 65 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A43545700, 16 bytes long.
 Data: <&#232;dTC*           > E8 64 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A43545E80, 16 bytes long.
 Data: <&#192;dTC*           > C0 64 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A43544A90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022A43545B10, 16 bytes long.
 Data: <&#216;&#142;SC*           > D8 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A435401B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022A43545C50, 16 bytes long.
 Data: <&#176;&#142;SC*           > B0 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A435460B0, 16 bytes long.
 Data: < &#142;SC*           > 88 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A435454D0, 16 bytes long.
 Data: <`&#142;SC*           > 60 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A435453E0, 16 bytes long.
 Data: <8&#142;SC*           > 38 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A43545E30, 16 bytes long.
 Data: < &#142;SC*           > 10 8E 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A435456B0, 16 bytes long.
 Data: <&#232; SC*           > E8 8D 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A4353F790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022A43545DE0, 16 bytes long.
 Data: <&#192; SC*           > C0 8D 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A43538DC0, 320 bytes long.
 Data: <&#224;]TC*    &#247;SC*   > E0 5D 54 43 2A 02 00 00 90 F7 53 43 2A 02 00 00 
{276} normal block at 0x0000022A43545480, 16 bytes long.
 Data: <&#160;dTC*           > A0 64 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A43545390, 16 bytes long.
 Data: <xdTC*           > 78 64 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A4353FD30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022A43545CF0, 16 bytes long.
 Data: <PdTC*           > 50 64 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A4353FC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022A43545660, 16 bytes long.
 Data: < cTC*           > 98 63 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A43545F20, 16 bytes long.
 Data: <pcTC*           > 70 63 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A43545D40, 16 bytes long.
 Data: <HcTC*           > 48 63 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A435457F0, 16 bytes long.
 Data: < cTC*           > 20 63 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A435457A0, 16 bytes long.
 Data: <&#248;bTC*           > F8 62 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A43545AC0, 16 bytes long.
 Data: <&#208;bTC*           > D0 62 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A43545430, 16 bytes long.
 Data: < JTC*           > 20 4A 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A43544A20, 40 bytes long.
 Data: <0TTC*    i E*   > 30 54 54 43 2A 02 00 00 80 69 1E 45 2A 02 00 00 
{262} normal block at 0x0000022A43545D90, 16 bytes long.
 Data: <&#176;bTC*           > B0 62 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A43546150, 16 bytes long.
 Data: < bTC*           > 88 62 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A435400F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022A43545570, 16 bytes long.
 Data: <`bTC*           > 60 62 54 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A43546260, 992 bytes long.
 Data: <pUTC*   &#240; TC*   > 70 55 54 43 2A 02 00 00 F0 00 54 43 2A 02 00 00 
{94} normal block at 0x0000022A43540390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022A4353E730, 16 bytes long.
 Data: <&#160;&#228;SC*           > A0 E4 53 43 2A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022A4353E4A0, 40 bytes long.
 Data: <0&#231;SC*     TC*   > 30 E7 53 43 2A 02 00 00 90 03 54 43 2A 02 00 00 
{71} normal block at 0x0000022A4353E690, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A4353E8C0, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A4353EC30, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A4353E9B0, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A4353EAA0, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A4353F3B0, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A4353EB40, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A4353F360, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A4353EC80, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A4353EB90, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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