Task 38661899

Name test_609-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND3972_0
Workunit 31605272
Created 24 Oct 2026, 16:28:59 UTC
Sent 24 Oct 2026, 16:37:23 UTC
Report deadline 29 Oct 2026, 16:37:23 UTC
Received 24 Oct 2026, 20:22:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654477
Run time 42 min 38 sec
CPU time 39 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.16 MB
Peak swap size 6.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:06:26 (25732): wrapper (7.9.26016): starting
19:06:26 (25732): 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
19:06:28 (25732): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:06:28 (25732): 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\1\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\1\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
19:47:18 (25732): C:/Windows/system32/cmd.exe exited; CPU time 2343.062500
19:47:18 (25732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 50722159 bytes.
Dumping objects ->
{3835270} normal block at 0x0000028D1D0240A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000028D1D0234D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000028D1B264A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000028D1B2649C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000028D1B265050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000028D1CFCA8A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000028D1CFDF210, 102 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) : {3835181} normal block at 0x0000028D1B25F460, 8 bytes long.
 Data: <  q     > 00 00 71 1B 8D 02 00 00 
{3834562} normal block at 0x0000028D1CFDE7C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000028D1B25F370, 8 bytes long.
 Data: <&#176;&#227;&#225;     > B0 E3 E1 1C 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028D1B261430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028D1B256B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000028D1B2660F0, 16 bytes long.
 Data: <Hh&             > 48 68 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D1B265BA0, 16 bytes long.
 Data: < h&             > 20 68 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028D1B260080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000028D1B265EC0, 16 bytes long.
 Data: <&#248;g&             > F8 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D1B265E70, 16 bytes long.
 Data: <&#208;g&             > D0 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028D1B265E20, 16 bytes long.
 Data: <&#168;g&             > A8 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D1B265BF0, 16 bytes long.
 Data: < g&             > 80 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D1B264C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000028D1B266230, 16 bytes long.
 Data: <&#232;&#231;%             > E8 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D1B25FCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000028D1B2661E0, 16 bytes long.
 Data: <&#192;&#231;%             > C0 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D1B265650, 16 bytes long.
 Data: < &#231;%             > 98 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028D1B265B50, 16 bytes long.
 Data: <p&#231;%             > 70 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D1B2664B0, 16 bytes long.
 Data: <H&#231;%             > 48 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D1B265AB0, 16 bytes long.
 Data: < &#231;%             > 20 E7 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D1B265A10, 16 bytes long.
 Data: <&#248;&#230;%             > F8 E6 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D1B25FE40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000028D1B2659C0, 16 bytes long.
 Data: <&#208;&#230;%             > D0 E6 25 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D1B25E6D0, 320 bytes long.
 Data: <&#192;Y&     @&#254;%     > C0 59 26 1B 8D 02 00 00 40 FE 25 1B 8D 02 00 00 
{274} normal block at 0x0000028D1B266370, 16 bytes long.
 Data: <`g&             > 60 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D1B265F60, 16 bytes long.
 Data: <8g&             > 38 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028D1B2603E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000028D1B2656A0, 16 bytes long.
 Data: < g&             > 10 67 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D1B260800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000028D1B265880, 16 bytes long.
 Data: <Xf&             > 58 66 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D1B265F10, 16 bytes long.
 Data: <0f&             > 30 66 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D1B265CE0, 16 bytes long.
 Data: < f&             > 08 66 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028D1B265DD0, 16 bytes long.
 Data: <&#224;e&             > E0 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D1B266280, 16 bytes long.
 Data: <&#184;e&             > B8 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D1B265970, 16 bytes long.
 Data: < e&             > 90 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D1B266190, 16 bytes long.
 Data: <&#240;K&             > F0 4B 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028D1B264BF0, 40 bytes long.
 Data: < a&     &#160;&#168;&#252;     > 90 61 26 1B 8D 02 00 00 A0 A8 FC 1C 8D 02 00 00 
{260} normal block at 0x0000028D1B266140, 16 bytes long.
 Data: <pe&             > 70 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D1B266410, 16 bytes long.
 Data: <He&             > 48 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028D1B2605C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000028D1B265D80, 16 bytes long.
 Data: < e&             > 20 65 26 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028D1B266520, 992 bytes long.
 Data: < ]&     &#192; &     > 80 5D 26 1B 8D 02 00 00 C0 05 26 1B 8D 02 00 00 
{92} normal block at 0x0000028D1B260200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000028D1B25EB50, 16 bytes long.
 Data: <P&#231;$             > 50 E7 24 1B 8D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000028D1B24E750, 40 bytes long.
 Data: <P&#235;%       &     > 50 EB 25 1B 8D 02 00 00 00 02 26 1B 8D 02 00 00 
{69} normal block at 0x0000028D1B25EEC0, 16 bytes long.
 Data: < &#234;k!&#246;           > 80 EA 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028D1B25F4B0, 16 bytes long.
 Data: <@&#233;k!&#246;           > 40 E9 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028D1B25EB00, 16 bytes long.
 Data: <&#248;Wh!&#246;           > F8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D1B25F0F0, 16 bytes long.
 Data: <&#216;Wh!&#246;           > D8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D1B25F190, 16 bytes long.
 Data: <P h!&#246;           > 50 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D1B25F1E0, 16 bytes long.
 Data: <0 h!&#246;           > 30 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D1B25F690, 16 bytes long.
 Data: <&#224; h!&#246;           > E0 02 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D1B25F050, 16 bytes long.
 Data: <  h!&#246;           > 10 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D1B25EE70, 16 bytes long.
 Data: <p h!&#246;           > 70 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028D1B25EF60, 16 bytes long.
 Data: < &#192;f!&#246;           > 18 C0 66 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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