Task 38658755

Name test_860-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1873_1
Workunit 31599819
Created 24 Oct 2026, 12:59:24 UTC
Sent 24 Oct 2026, 17:31:53 UTC
Report deadline 29 Oct 2026, 17:31:53 UTC
Received 24 Oct 2026, 18:33:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 45 min 16 sec
CPU time 36 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.34 MB
Peak swap size 3.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:38:50 (15660): wrapper (7.9.26016): starting
18:38:50 (15660): 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
18:38:54 (15660): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:38:54 (15660): 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
19:21:33 (15660): C:/Windows/system32/cmd.exe exited; CPU time 2175.687500
19:21:33 (15660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 70449349 bytes.
Dumping objects ->
{3835267} normal block at 0x0000023B89161A30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000023B89161250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000023B891619C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x0000023B89161870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023B89161B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000023B8B093C00, 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) : {3835179} normal block at 0x0000023B8B0479C0, 8 bytes long.
 Data: <  _&#137;;   > 00 00 5F 89 3B 02 00 00 
{3833969} normal block at 0x0000023B8B047150, 8 bytes long.
 Data: <p_ &#139;;   > 70 5F 12 8B 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023B8914DF20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023B89147AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000023B8915D790, 16 bytes long.
 Data: <&#232;  &#137;;           > E8 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023B8915D6F0, 16 bytes long.
 Data: <&#192;  &#137;;           > C0 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023B89159040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000023B8915D420, 16 bytes long.
 Data: <   &#137;;           > 98 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B8915D380, 16 bytes long.
 Data: <p  &#137;;           > 70 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023B8915DF10, 16 bytes long.
 Data: <H  &#137;;           > 48 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B8915DEC0, 16 bytes long.
 Data: <   &#137;;           > 20 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B89160CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000023B8915DE20, 16 bytes long.
 Data: < ] &#137;;           > 08 5D 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B89159280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000023B8915D8D0, 16 bytes long.
 Data: <&#224;\ &#137;;           > E0 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023B8915DDD0, 16 bytes long.
 Data: <&#184;\ &#137;;           > B8 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023B8915D010, 16 bytes long.
 Data: < \ &#137;;           > 90 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B8915DD80, 16 bytes long.
 Data: <h\ &#137;;           > 68 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023B8915D650, 16 bytes long.
 Data: <@\ &#137;;           > 40 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B8915DB00, 16 bytes long.
 Data: < \ &#137;;           > 18 5C 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B891595E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000023B8915DD30, 16 bytes long.
 Data: <&#240;[ &#137;;           > F0 5B 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B89155BF0, 320 bytes long.
 Data: <0&#221; &#137;;   &#224;&#149; &#137;;   > 30 DD 15 89 3B 02 00 00 E0 95 15 89 3B 02 00 00 
{280} normal block at 0x0000023B8915D560, 16 bytes long.
 Data: <   &#137;;           > 00 0A 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B8915DAB0, 16 bytes long.
 Data: <&#216;	 &#137;;           > D8 09 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023B89159760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000023B8915DCE0, 16 bytes long.
 Data: <&#176;	 &#137;;           > B0 09 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B89159100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000023B8915D600, 16 bytes long.
 Data: <&#248;  &#137;;           > F8 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B8915DC90, 16 bytes long.
 Data: <&#208;  &#137;;           > D0 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023B8915DBF0, 16 bytes long.
 Data: <&#168;  &#137;;           > A8 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B8915D6A0, 16 bytes long.
 Data: <   &#137;;           > 80 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B8915D4C0, 16 bytes long.
 Data: <X  &#137;;           > 58 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B8915DC40, 16 bytes long.
 Data: <0  &#137;;           > 30 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B8915D3D0, 16 bytes long.
 Data: <&#224;  &#137;;           > E0 18 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023B891618E0, 40 bytes long.
 Data: <&#208;&#211; &#137;;    <	&#139;;   > D0 D3 15 89 3B 02 00 00 00 3C 09 8B 3B 02 00 00 
{266} normal block at 0x0000023B8915D100, 16 bytes long.
 Data: <   &#137;;           > 10 08 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B8915D470, 16 bytes long.
 Data: <&#232;  &#137;;           > E8 07 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023B89159940, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000023B8915D0B0, 16 bytes long.
 Data: <&#192;  &#137;;           > C0 07 16 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B891607C0, 992 bytes long.
 Data: <&#176;&#208; &#137;;   @  &#137;;   > B0 D0 15 89 3B 02 00 00 40 99 15 89 3B 02 00 00 
{98} normal block at 0x0000023B89159C40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000023B8915D290, 16 bytes long.
 Data: < &#180; &#137;;           > 00 B4 15 89 3B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000023B8915B400, 40 bytes long.
 Data: < &#210; &#137;;   @&#156; &#137;;   > 90 D2 15 89 3B 02 00 00 40 9C 15 89 3B 02 00 00 
{75} normal block at 0x0000023B8915DA10, 16 bytes long.
 Data: < &#234;&#181;&#138;&#246;           > 80 EA B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023B8914F890, 16 bytes long.
 Data: <@&#233;&#181;&#138;&#246;           > 40 E9 B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023B8914F7A0, 16 bytes long.
 Data: <&#248;W&#178;&#138;&#246;           > F8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023B8914F3E0, 16 bytes long.
 Data: <&#216;W&#178;&#138;&#246;           > D8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023B8914F390, 16 bytes long.
 Data: <P &#178;&#138;&#246;           > 50 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B8914F340, 16 bytes long.
 Data: <0 &#178;&#138;&#246;           > 30 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B8914F2F0, 16 bytes long.
 Data: <&#224; &#178;&#138;&#246;           > E0 02 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B8914F250, 16 bytes long.
 Data: <  &#178;&#138;&#246;           > 10 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B8914F200, 16 bytes long.
 Data: <p &#178;&#138;&#246;           > 70 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B8914F700, 16 bytes long.
 Data: < &#192;&#176;&#138;&#246;           > 18 C0 B0 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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