Task 38678658

Name test_762-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7027_0
Workunit 31620468
Created 26 Oct 2026, 18:04:41 UTC
Sent 26 Oct 2026, 18:04:43 UTC
Report deadline 31 Oct 2026, 18:04:43 UTC
Received 26 Oct 2026, 18:26:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 20 min 43 sec
CPU time 19 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.64 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:05:45 (17884): wrapper (7.9.26016): starting
18:05:45 (17884): 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
18:05:46 (17884): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:05:46 (17884): 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\13\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\13\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
18:25:40 (17884): C:/Windows/system32/cmd.exe exited; CPU time 1165.453125
18:25:40 (17884): 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: 20480183 bytes.
Dumping objects ->
{3835253} normal block at 0x000002698C45D570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002698A774AA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002698A775130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002698A7750C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002698A774F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002698C4AAF50, 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) : {3835165} normal block at 0x000002698A76FCE0, 8 bytes long.
 Data: <  :&#140;i   > 00 00 3A 8C 69 02 00 00 
{3833961} normal block at 0x000002698A7707D0, 8 bytes long.
 Data: <&#160;<P&#140;i   > A0 3C 50 8C 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002698A771290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002698A7664D0, 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 0x000002698A776320, 16 bytes long.
 Data: < Yw&#138;i           > 18 59 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002698A7769B0, 16 bytes long.
 Data: <&#240;Xw&#138;i           > F0 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002698A76F6F0, 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 0x000002698A775FB0, 16 bytes long.
 Data: <&#200;Xw&#138;i           > C8 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002698A775F60, 16 bytes long.
 Data: <&#160;Xw&#138;i           > A0 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002698A7765F0, 16 bytes long.
 Data: <xXw&#138;i           > 78 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002698A775BF0, 16 bytes long.
 Data: <PXw&#138;i           > 50 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002698A775050, 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 0x000002698A775E70, 16 bytes long.
 Data: <h&#232;v&#138;i           > 68 E8 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002698A76F690, 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 0x000002698A775B50, 16 bytes long.
 Data: <@&#232;v&#138;i           > 40 E8 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002698A775B00, 16 bytes long.
 Data: < &#232;v&#138;i           > 18 E8 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002698A776960, 16 bytes long.
 Data: <&#240;&#231;v&#138;i           > F0 E7 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002698A775F10, 16 bytes long.
 Data: <&#200;&#231;v&#138;i           > C8 E7 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002698A775D30, 16 bytes long.
 Data: <&#160;&#231;v&#138;i           > A0 E7 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002698A776230, 16 bytes long.
 Data: <x&#231;v&#138;i           > 78 E7 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002698A76EB50, 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 0x000002698A775C90, 16 bytes long.
 Data: <P&#231;v&#138;i           > 50 E7 76 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002698A76E750, 320 bytes long.
 Data: < \w&#138;i   P&#235;v&#138;i   > 90 5C 77 8A 69 02 00 00 50 EB 76 8A 69 02 00 00 
{276} normal block at 0x000002698A776820, 16 bytes long.
 Data: <0Xw&#138;i           > 30 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002698A775CE0, 16 bytes long.
 Data: < Xw&#138;i           > 08 58 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002698A76F8D0, 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 0x000002698A776280, 16 bytes long.
 Data: <&#224;Ww&#138;i           > E0 57 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002698A76F390, 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 0x000002698A776910, 16 bytes long.
 Data: <(Ww&#138;i           > 28 57 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002698A7767D0, 16 bytes long.
 Data: < Ww&#138;i           > 00 57 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002698A7765A0, 16 bytes long.
 Data: <&#216;Vw&#138;i           > D8 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002698A775EC0, 16 bytes long.
 Data: <&#176;Vw&#138;i           > B0 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002698A770780, 16 bytes long.
 Data: < Vw&#138;i           > 88 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002698A76FD80, 16 bytes long.
 Data: <`Vw&#138;i           > 60 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002698A770640, 16 bytes long.
 Data: <&#240;Kw&#138;i           > F0 4B 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002698A774BF0, 40 bytes long.
 Data: <@ w&#138;i   P&#175;J&#140;i   > 40 06 77 8A 69 02 00 00 50 AF 4A 8C 69 02 00 00 
{262} normal block at 0x000002698A7705A0, 16 bytes long.
 Data: <@Vw&#138;i           > 40 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002698A76FC40, 16 bytes long.
 Data: < Vw&#138;i           > 18 56 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002698A76EF10, 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 0x000002698A76FFB0, 16 bytes long.
 Data: <&#240;Uw&#138;i           > F0 55 77 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002698A7755F0, 992 bytes long.
 Data: <&#176;&#255;v&#138;i    &#239;v&#138;i   > B0 FF 76 8A 69 02 00 00 10 EF 76 8A 69 02 00 00 
{94} normal block at 0x000002698A76F450, 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 0x000002698A76FE70, 16 bytes long.
 Data: <&#224;&#240;u&#138;i           > E0 F0 75 8A 69 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002698A75F0E0, 40 bytes long.
 Data: <p&#254;v&#138;i   P&#244;v&#138;i   > 70 FE 76 8A 69 02 00 00 50 F4 76 8A 69 02 00 00 
{71} normal block at 0x000002698A770280, 16 bytes long.
 Data: < &#234;tx&#247;           > 80 EA 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002698A7708C0, 16 bytes long.
 Data: <@&#233;tx&#247;           > 40 E9 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002698A770370, 16 bytes long.
 Data: <&#248;Wqx&#247;           > F8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002698A76FBF0, 16 bytes long.
 Data: <&#216;Wqx&#247;           > D8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002698A76FF10, 16 bytes long.
 Data: <P qx&#247;           > 50 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002698A76FEC0, 16 bytes long.
 Data: <0 qx&#247;           > 30 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002698A7702D0, 16 bytes long.
 Data: <&#224; qx&#247;           > E0 02 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002698A76FE20, 16 bytes long.
 Data: <  qx&#247;           > 10 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002698A7703C0, 16 bytes long.
 Data: <p qx&#247;           > 70 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002698A770820, 16 bytes long.
 Data: < &#192;ox&#247;           > 18 C0 6F 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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