Task 38666231

Name test_567-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2937_0
Workunit 31609230
Created 25 Oct 2026, 2:22:13 UTC
Sent 25 Oct 2026, 2:49:24 UTC
Report deadline 30 Oct 2026, 2:49:24 UTC
Received 25 Oct 2026, 4:02:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 59 min 3 sec
CPU time 54 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 655.85 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:04:34 (7864): wrapper (7.9.26016): starting
20:04:34 (7864): 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
20:04:38 (7864): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:04:38 (7864): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
21:01:09 (7864): C:/Windows/system32/cmd.exe exited; CPU time 3260.500000
21:01:09 (7864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 38321665 bytes.
Dumping objects ->
{3835225} normal block at 0x000001F2FCAFB620, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x000001F2FAF6FD20, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x000001F2FAF6FAF0, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x000001F2FAF6FA10, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x000001F2FAF6FE70, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x000001F2FCAFBA20, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x000001F2FCBE54A0, 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) : {3835136} normal block at 0x000001F2FAF66E00, 8 bytes long.
 Data: <  &#241;&#250;&#242;   > 00 00 F1 FA F2 01 00 00 
{3834541} normal block at 0x000001F2FCBE5E40, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001F2FAF66AE0, 8 bytes long.
 Data: < l&#190;&#252;&#242;   > 00 6C BE FC F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F2FAF70290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F2FAF5AC00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001F2FAF71CD0, 16 bytes long.
 Data: <&#200;9&#247;&#250;&#242;           > C8 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F2FAF71A00, 16 bytes long.
 Data: <&#160;9&#247;&#250;&#242;           > A0 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F2FAF6D030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001F2FAF72130, 16 bytes long.
 Data: <x9&#247;&#250;&#242;           > 78 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F2FAF71FF0, 16 bytes long.
 Data: <P9&#247;&#250;&#242;           > 50 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F2FAF71960, 16 bytes long.
 Data: <(9&#247;&#250;&#242;           > 28 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F2FAF71B90, 16 bytes long.
 Data: < 9&#247;&#250;&#242;           > 00 39 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F2FAF6FEE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001F2FAF714B0, 16 bytes long.
 Data: <&#168;&#188;&#245;&#250;&#242;           > A8 BC F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F2FAF6CD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001F2FAF71D70, 16 bytes long.
 Data: < &#188;&#245;&#250;&#242;           > 80 BC F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F2FAF71410, 16 bytes long.
 Data: <X&#188;&#245;&#250;&#242;           > 58 BC F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F2FAF71F50, 16 bytes long.
 Data: <0&#188;&#245;&#250;&#242;           > 30 BC F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F2FAF71320, 16 bytes long.
 Data: < &#188;&#245;&#250;&#242;           > 08 BC F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F2FAF71870, 16 bytes long.
 Data: <&#224;&#187;&#245;&#250;&#242;           > E0 BB F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2FAF72040, 16 bytes long.
 Data: <&#184;&#187;&#245;&#250;&#242;           > B8 BB F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F2FAF6D0F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001F2FAF72220, 16 bytes long.
 Data: < &#187;&#245;&#250;&#242;           > 90 BB F5 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F2FAF5BB90, 320 bytes long.
 Data: < "&#247;&#250;&#242;   &#240;&#208;&#246;&#250;&#242;   > 20 22 F7 FA F2 01 00 00 F0 D0 F6 FA F2 01 00 00 
{273} normal block at 0x000001F2FAF71BE0, 16 bytes long.
 Data: <&#224;8&#247;&#250;&#242;           > E0 38 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F2FAF719B0, 16 bytes long.
 Data: <&#184;8&#247;&#250;&#242;           > B8 38 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F2FAF6CA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001F2FAF71EB0, 16 bytes long.
 Data: < 8&#247;&#250;&#242;           > 90 38 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F2FAF6CE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001F2FAF716E0, 16 bytes long.
 Data: <&#216;7&#247;&#250;&#242;           > D8 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F2FAF71E10, 16 bytes long.
 Data: <&#176;7&#247;&#250;&#242;           > B0 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F2FAF71370, 16 bytes long.
 Data: < 7&#247;&#250;&#242;           > 88 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F2FAF717D0, 16 bytes long.
 Data: <`7&#247;&#250;&#242;           > 60 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F2FAF712D0, 16 bytes long.
 Data: <87&#247;&#250;&#242;           > 38 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F2FAF721D0, 16 bytes long.
 Data: < 7&#247;&#250;&#242;           > 10 37 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F2FAF71640, 16 bytes long.
 Data: <0&#249;&#246;&#250;&#242;           > 30 F9 F6 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F2FAF6F930, 40 bytes long.
 Data: <@ &#247;&#250;&#242;    &#186;&#175;&#252;&#242;   > 40 16 F7 FA F2 01 00 00 20 BA AF FC F2 01 00 00 
{259} normal block at 0x000001F2FAF71690, 16 bytes long.
 Data: <&#240;6&#247;&#250;&#242;           > F0 36 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F2FAF718C0, 16 bytes long.
 Data: <&#200;6&#247;&#250;&#242;           > C8 36 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F2FAF6CCD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001F2FAF72090, 16 bytes long.
 Data: <&#160;6&#247;&#250;&#242;           > A0 36 F7 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F2FAF736A0, 992 bytes long.
 Data: <  &#247;&#250;&#242;   &#208;&#204;&#246;&#250;&#242;   > 90 20 F7 FA F2 01 00 00 D0 CC F6 FA F2 01 00 00 
{91} normal block at 0x000001F2FAF6D450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001F2FAF666D0, 16 bytes long.
 Data: <@&#252;&#246;&#250;&#242;           > 40 FC F6 FA F2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001F2FAF6FC40, 40 bytes long.
 Data: <&#208;f&#246;&#250;&#242;   P&#212;&#246;&#250;&#242;   > D0 66 F6 FA F2 01 00 00 50 D4 F6 FA F2 01 00 00 
{68} normal block at 0x000001F2FAF67440, 16 bytes long.
 Data: < &#234;&#253;u&#247;           > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F2FAF66A90, 16 bytes long.
 Data: <@&#233;&#253;u&#247;           > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F2FAF67350, 16 bytes long.
 Data: <&#248;W&#250;u&#247;           > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F2FAF67030, 16 bytes long.
 Data: <&#216;W&#250;u&#247;           > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F2FAF66680, 16 bytes long.
 Data: <P &#250;u&#247;           > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F2FAF66630, 16 bytes long.
 Data: <0 &#250;u&#247;           > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F2FAF67300, 16 bytes long.
 Data: <&#224; &#250;u&#247;           > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F2FAF671C0, 16 bytes long.
 Data: <  &#250;u&#247;           > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F2FAF673F0, 16 bytes long.
 Data: <p &#250;u&#247;           > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F2FAF66A40, 16 bytes long.
 Data: < &#192;&#248;u&#247;           > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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