Task 38672638

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5395_0
Workunit 31614765
Created 26 Oct 2026, 0:01:28 UTC
Sent 26 Oct 2026, 0:01:31 UTC
Report deadline 31 Oct 2026, 0:01:31 UTC
Received 26 Oct 2026, 0:56:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 52 min 29 sec
CPU time 38 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.23 MB
Peak swap size 5.40 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:05:11 (29848): wrapper (7.9.26016): starting
01:05:11 (29848): 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
01:05:14 (29848): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:05:14 (29848): 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
01:55:54 (29848): C:/Windows/system32/cmd.exe exited; CPU time 2281.500000
01:55:54 (29848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 55493325 bytes.
Dumping objects ->
{3835197} normal block at 0x000001CE896D85B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001CE87A24FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001CE87A24F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001CE87A24EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001CE87A25340, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001CE89688FE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001CE87A1F290, 8 bytes long.
 Data: <  &#227;&#135;&#206;   > 00 00 E3 87 CE 01 00 00 
{3833961} normal block at 0x000001CE87A1FDD0, 8 bytes long.
 Data: < &#220;&#160;&#135;&#206;   > 10 DC A0 87 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CE87A220A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CE87A15D10, 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 0x000001CE87A26310, 16 bytes long.
 Data: <&#200;i&#162;&#135;&#206;           > C8 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CE87A25CD0, 16 bytes long.
 Data: <&#160;i&#162;&#135;&#206;           > A0 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CE87A1D6C0, 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 0x000001CE87A26180, 16 bytes long.
 Data: <xi&#162;&#135;&#206;           > 78 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CE87A26040, 16 bytes long.
 Data: <Pi&#162;&#135;&#206;           > 50 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CE87A25EB0, 16 bytes long.
 Data: <(i&#162;&#135;&#206;           > 28 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CE87A256E0, 16 bytes long.
 Data: < i&#162;&#135;&#206;           > 00 69 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CE87A25110, 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 0x000001CE87A25D70, 16 bytes long.
 Data: <  &#161;&#135;&#206;           > 08 8F A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CE87A1D480, 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 0x000001CE87A25820, 16 bytes long.
 Data: <&#224;&#142;&#161;&#135;&#206;           > E0 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CE87A25AF0, 16 bytes long.
 Data: <&#184;&#142;&#161;&#135;&#206;           > B8 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CE87A25C30, 16 bytes long.
 Data: < &#142;&#161;&#135;&#206;           > 90 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CE87A25AA0, 16 bytes long.
 Data: <h&#142;&#161;&#135;&#206;           > 68 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CE87A25B90, 16 bytes long.
 Data: <@&#142;&#161;&#135;&#206;           > 40 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CE87A258C0, 16 bytes long.
 Data: < &#142;&#161;&#135;&#206;           > 18 8E A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CE87A1D0C0, 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 0x000001CE87A262C0, 16 bytes long.
 Data: <&#240; &#161;&#135;&#206;           > F0 8D A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CE87A18DF0, 320 bytes long.
 Data: <&#192;b&#162;&#135;&#206;   &#192;&#208;&#161;&#135;&#206;   > C0 62 A2 87 CE 01 00 00 C0 D0 A1 87 CE 01 00 00 
{276} normal block at 0x000001CE87A25E60, 16 bytes long.
 Data: <&#224;h&#162;&#135;&#206;           > E0 68 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CE87A25A50, 16 bytes long.
 Data: <&#184;h&#162;&#135;&#206;           > B8 68 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CE87A1D2A0, 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 0x000001CE87A26360, 16 bytes long.
 Data: < h&#162;&#135;&#206;           > 90 68 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CE87A1D120, 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 0x000001CE87A25730, 16 bytes long.
 Data: <&#216;g&#162;&#135;&#206;           > D8 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CE87A26270, 16 bytes long.
 Data: <&#176;g&#162;&#135;&#206;           > B0 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CE87A25F00, 16 bytes long.
 Data: < g&#162;&#135;&#206;           > 88 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CE87A25D20, 16 bytes long.
 Data: <`g&#162;&#135;&#206;           > 60 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CE87A25B40, 16 bytes long.
 Data: <8g&#162;&#135;&#206;           > 38 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CE87A26540, 16 bytes long.
 Data: < g&#162;&#135;&#206;           > 10 67 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CE87A257D0, 16 bytes long.
 Data: <0P&#162;&#135;&#206;           > 30 50 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CE87A25030, 40 bytes long.
 Data: <&#208;W&#162;&#135;&#206;   &#224; h&#137;&#206;   > D0 57 A2 87 CE 01 00 00 E0 8F 68 89 CE 01 00 00 
{262} normal block at 0x000001CE87A26220, 16 bytes long.
 Data: <&#240;f&#162;&#135;&#206;           > F0 66 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CE87A25780, 16 bytes long.
 Data: <&#200;f&#162;&#135;&#206;           > C8 66 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CE87A1DDE0, 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 0x000001CE87A25F50, 16 bytes long.
 Data: <&#160;f&#162;&#135;&#206;           > A0 66 A2 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CE87A266A0, 992 bytes long.
 Data: <P_&#162;&#135;&#206;   &#224;&#221;&#161;&#135;&#206;   > 50 5F A2 87 CE 01 00 00 E0 DD A1 87 CE 01 00 00 
{94} normal block at 0x000001CE87A1D3C0, 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 0x000001CE87A1F790, 16 bytes long.
 Data: < &#237;&#161;&#135;&#206;           > 80 ED A1 87 CE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001CE87A1ED80, 40 bytes long.
 Data: < &#247;&#161;&#135;&#206;   &#192;&#211;&#161;&#135;&#206;   > 90 F7 A1 87 CE 01 00 00 C0 D3 A1 87 CE 01 00 00 
{71} normal block at 0x000001CE87A1FD80, 16 bytes long.
 Data: < &#234;2^&#246;           > 80 EA 32 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CE87A1F600, 16 bytes long.
 Data: <@&#233;2^&#246;           > 40 E9 32 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CE87A1FA10, 16 bytes long.
 Data: <&#248;W/^&#246;           > F8 57 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CE87A1F880, 16 bytes long.
 Data: <&#216;W/^&#246;           > D8 57 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CE87A1F9C0, 16 bytes long.
 Data: <P /^&#246;           > 50 04 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CE87A1F380, 16 bytes long.
 Data: <0 /^&#246;           > 30 04 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CE87A1FE70, 16 bytes long.
 Data: <&#224; /^&#246;           > E0 02 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CE87A200F0, 16 bytes long.
 Data: <  /^&#246;           > 10 04 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CE87A1FB50, 16 bytes long.
 Data: <p /^&#246;           > 70 04 2F 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CE87A1F5B0, 16 bytes long.
 Data: < &#192;-^&#246;           > 18 C0 2D 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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