Task 38680499

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8708_0
Workunit 31622218
Created 27 Oct 2026, 0:12:12 UTC
Sent 27 Oct 2026, 0:12:17 UTC
Report deadline 1 Nov 2026, 0:12:17 UTC
Received 27 Oct 2026, 0:34:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 20 min 41 sec
CPU time 18 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.71 MB
Peak swap size 10.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:14:04 (20620): wrapper (7.9.26016): starting
09:14:04 (20620): 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
09:14:05 (20620): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:14:05 (20620): 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\18\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\18\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
09:33:57 (20620): C:/Windows/system32/cmd.exe exited; CPU time 1127.578125
09:33:57 (20620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 23359861 bytes.
Dumping objects ->
{3835586} normal block at 0x000002AC9A86AEE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000002AC9A86B880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000002AC9A844CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x000002AC9A845200, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000002AC9A845190, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000002AC9C8D6270, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000002AC9C8ECA90, 100 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) : {3835497} normal block at 0x000002AC9A840720, 8 bytes long.
 Data: <  &#193; &#172;   > 00 00 C1 9A AC 02 00 00 
{3834771} normal block at 0x000002AC9C8EC450, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002AC9A83F910, 8 bytes long.
 Data: <` ~ &#172;   > 60 E7 7E 9C AC 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AC9A8410A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AC9A82F410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002AC9A8467F0, 16 bytes long.
 Data: <&#168;W  &#172;           > A8 57 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AC9A845C60, 16 bytes long.
 Data: < W  &#172;           > 80 57 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AC9A83F800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002AC9A846750, 16 bytes long.
 Data: <XW  &#172;           > 58 57 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AC9A8463E0, 16 bytes long.
 Data: <0W  &#172;           > 30 57 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AC9A845D50, 16 bytes long.
 Data: < W  &#172;           > 08 57 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AC9A845BC0, 16 bytes long.
 Data: < V  &#172;           > E0 56 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AC9A844F60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002AC9A846840, 16 bytes long.
 Data: <8   &#172;           > 38 8F 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AC9A83EEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002AC9A845B70, 16 bytes long.
 Data: <    &#172;           > 10 8F 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AC9A845C10, 16 bytes long.
 Data: <    &#172;           > E8 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AC9A8462A0, 16 bytes long.
 Data: <&#192;   &#172;           > C0 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AC9A845B20, 16 bytes long.
 Data: <    &#172;           > 98 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AC9A846660, 16 bytes long.
 Data: <p   &#172;           > 70 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AC9A845A30, 16 bytes long.
 Data: <H   &#172;           > 48 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AC9A83F680, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x000002AC9A846570, 16 bytes long.
 Data: <    &#172;           > 20 8E 83 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AC9A838E20, 320 bytes long.
 Data: <pe  &#172;       &#172;   > 70 65 84 9A AC 02 00 00 80 F6 83 9A AC 02 00 00 
{277} normal block at 0x000002AC9A845EE0, 16 bytes long.
 Data: <&#192;V  &#172;           > C0 56 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AC9A845A80, 16 bytes long.
 Data: < V  &#172;           > 98 56 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AC9A83F620, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002AC9A846020, 16 bytes long.
 Data: <pV  &#172;           > 70 56 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AC9A83EA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002AC9A845990, 16 bytes long.
 Data: <&#184;U  &#172;           > B8 55 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AC9A845940, 16 bytes long.
 Data: < U  &#172;           > 90 55 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AC9A8458F0, 16 bytes long.
 Data: <hU  &#172;           > 68 55 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AC9A845AD0, 16 bytes long.
 Data: <@U  &#172;           > 40 55 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AC9A845D00, 16 bytes long.
 Data: < U  &#172;           > 18 55 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AC9A83FC30, 16 bytes long.
 Data: < T  &#172;           > F0 54 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AC9A840220, 16 bytes long.
 Data: <&#192;S  &#172;           > C0 53 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AC9A8453C0, 40 bytes long.
 Data: <    &#172;   pb  &#172;   > 20 02 84 9A AC 02 00 00 70 62 8D 9C AC 02 00 00 
{263} normal block at 0x000002AC9A83F960, 16 bytes long.
 Data: <&#208;T  &#172;           > D0 54 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AC9A840860, 16 bytes long.
 Data: <&#168;T  &#172;           > A8 54 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AC9A83EC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002AC9A83FBE0, 16 bytes long.
 Data: < T  &#172;           > 80 54 84 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AC9A845480, 992 bytes long.
 Data: <    &#172;   `   &#172;   > E0 FB 83 9A AC 02 00 00 60 EC 83 9A AC 02 00 00 
{95} normal block at 0x000002AC9A83F0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002AC9A8404A0, 16 bytes long.
 Data: < &#196;  &#172;           > 00 C4 82 9A AC 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002AC9A82C400, 40 bytes long.
 Data: <    &#172;       &#172;   > A0 04 84 9A AC 02 00 00 E0 F0 83 9A AC 02 00 00 
{70} normal block at 0x000002AC9A83FB40, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AC9A83FA00, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AC9A83FFF0, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AC9A83FF50, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AC9A840680, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AC9A8405E0, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AC9A8406D0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AC9A8400E0, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AC9A840450, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002AC9A83FB90, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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