Task 38681582

Name test_582-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2462_0
Workunit 31623243
Created 27 Oct 2026, 4:31:31 UTC
Sent 27 Oct 2026, 4:31:34 UTC
Report deadline 1 Nov 2026, 4:31:34 UTC
Received 27 Oct 2026, 6:11:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 25 sec
CPU time 46 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.18 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:24:06 (1192): wrapper (7.9.26016): starting
22:24:06 (1192): 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
22:24:08 (1192): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:24:08 (1192): 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 'E:\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 'E:\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
23:10:29 (1192): C:/Windows/system32/cmd.exe exited; CPU time 2802.156250
23:10:29 (1192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32280949 bytes.
Dumping objects ->
{3835223} normal block at 0x0000028727691440, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000287276913D0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000028727691280, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000028727691210, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000287276911A0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000002872911B4C0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000002872909EA10, 160 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) : {3835134} normal block at 0x0000028727686ED0, 8 bytes long.
 Data: <  a'&#135;   > 00 00 61 27 87 02 00 00 
{3834539} normal block at 0x000002872909E5B0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x00000287276868E0, 8 bytes long.
 Data: <&#224;&#134; )&#135;   > E0 86 1B 29 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002872768C5E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002872767B070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028727691EF0, 16 bytes long.
 Data: <X;i'&#135;           > 58 3B 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028727692580, 16 bytes long.
 Data: <0;i'&#135;           > 30 3B 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002872768D520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028727692170, 16 bytes long.
 Data: < ;i'&#135;           > 08 3B 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000287276925D0, 16 bytes long.
 Data: <&#224;:i'&#135;           > E0 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028727691B80, 16 bytes long.
 Data: <&#184;:i'&#135;           > B8 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028727691FE0, 16 bytes long.
 Data: < :i'&#135;           > 90 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028727691750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000287276920D0, 16 bytes long.
 Data: < &#188;g'&#135;           > 18 BC 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002872768D460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028727691E00, 16 bytes long.
 Data: <&#240;&#187;g'&#135;           > F0 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028727691A90, 16 bytes long.
 Data: <&#200;&#187;g'&#135;           > C8 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028727691DB0, 16 bytes long.
 Data: <&#160;&#187;g'&#135;           > A0 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028727691F40, 16 bytes long.
 Data: <x&#187;g'&#135;           > 78 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028727692710, 16 bytes long.
 Data: <P&#187;g'&#135;           > 50 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028727691B30, 16 bytes long.
 Data: <(&#187;g'&#135;           > 28 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002872768D820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000287276926C0, 16 bytes long.
 Data: < &#187;g'&#135;           > 00 BB 67 27 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002872767BB00, 320 bytes long.
 Data: <&#192;&i'&#135;    &#216;h'&#135;   > C0 26 69 27 87 02 00 00 20 D8 68 27 87 02 00 00 
{272} normal block at 0x00000287276919A0, 16 bytes long.
 Data: <p:i'&#135;           > 70 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028727692350, 16 bytes long.
 Data: <H:i'&#135;           > 48 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002872768D640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028727692670, 16 bytes long.
 Data: < :i'&#135;           > 20 3A 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002872768D040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028727691BD0, 16 bytes long.
 Data: <h9i'&#135;           > 68 39 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028727691900, 16 bytes long.
 Data: <@9i'&#135;           > 40 39 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028727691D10, 16 bytes long.
 Data: < 9i'&#135;           > 18 39 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028727691CC0, 16 bytes long.
 Data: <&#240;8i'&#135;           > F0 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000287276918B0, 16 bytes long.
 Data: <&#200;8i'&#135;           > C8 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028727691860, 16 bytes long.
 Data: <&#160;8i'&#135;           > A0 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028727692080, 16 bytes long.
 Data: <  i'&#135;           > 00 16 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028727691600, 40 bytes long.
 Data: <  i'&#135;   &#192;&#180; )&#135;   > 80 20 69 27 87 02 00 00 C0 B4 11 29 87 02 00 00 
{258} normal block at 0x0000028727691D60, 16 bytes long.
 Data: < 8i'&#135;           > 80 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028727691A40, 16 bytes long.
 Data: <X8i'&#135;           > 58 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002872768CB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000287276922B0, 16 bytes long.
 Data: <08i'&#135;           > 30 38 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028727693830, 992 bytes long.
 Data: <&#176;"i'&#135;   `&#203;h'&#135;   > B0 22 69 27 87 02 00 00 60 CB 68 27 87 02 00 00 
{90} normal block at 0x000002872768CDA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028727686700, 16 bytes long.
 Data: <` i'&#135;           > 60 13 69 27 87 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028727691360, 40 bytes long.
 Data: < gh'&#135;   &#160;&#205;h'&#135;   > 00 67 68 27 87 02 00 00 A0 CD 68 27 87 02 00 00 
{67} normal block at 0x00000287276871F0, 16 bytes long.
 Data: < &#234;&#146; &#247;           > 80 EA 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028727686890, 16 bytes long.
 Data: <@&#233;&#146; &#247;           > 40 E9 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028727686610, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028727686E30, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028727687240, 16 bytes long.
 Data: <P   &#247;           > 50 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028727687010, 16 bytes long.
 Data: <0   &#247;           > 30 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028727686C00, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000287276871A0, 16 bytes long.
 Data: <    &#247;           > 10 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028727686A70, 16 bytes long.
 Data: <p   &#247;           > 70 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028727686BB0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 8D 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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