Task 38669340

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3331_0
Workunit 31611698
Created 25 Oct 2026, 14:18:19 UTC
Sent 25 Oct 2026, 14:18:20 UTC
Report deadline 30 Oct 2026, 14:18:20 UTC
Received 25 Oct 2026, 18:39:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 29 min 35 sec
CPU time 27 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.18 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
19:10:13 (31384): wrapper (7.9.26016): starting
19:10:13 (31384): 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
19:10:14 (31384): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:10:14 (31384): 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
19:38:43 (31384): C:/Windows/system32/cmd.exe exited; CPU time 1672.296875
19:38:43 (31384): 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: 33396467 bytes.
Dumping objects ->
{3845525} normal block at 0x00000283779FAB40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3845514} normal block at 0x00000283779FB010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3845503} normal block at 0x00000283779FA9F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3845492} normal block at 0x00000283779FAFA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3845481} normal block at 0x00000283779FAF30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3845450} normal block at 0x00000283795D8610, 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) : {3845437} normal block at 0x00000283779CF580, 8 bytes long.
 Data: <  &#215;w&#131;   > 00 00 D7 77 83 02 00 00 
{3844230} normal block at 0x00000283779CFD00, 8 bytes long.
 Data: <@xcy&#131;   > 40 78 63 79 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000283779D2D60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000283779C7B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000283779D7840, 16 bytes long.
 Data: <&#184;&#135; w&#131;           > B8 87 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000283779D7B10, 16 bytes long.
 Data: < &#135; w&#131;           > 90 87 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000283779D1ED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000283779D7D40, 16 bytes long.
 Data: <h&#135; w&#131;           > 68 87 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000283779D7AC0, 16 bytes long.
 Data: <@&#135; w&#131;           > 40 87 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000283779D79D0, 16 bytes long.
 Data: < &#135; w&#131;           > 18 87 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000283779D8010, 16 bytes long.
 Data: <&#240;&#134; w&#131;           > F0 86 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000283779D58F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000283779D77F0, 16 bytes long.
 Data: <  &#156;w&#131;           > 98 04 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000283779D1D50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000283779D7750, 16 bytes long.
 Data: <p &#156;w&#131;           > 70 04 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000283779D7700, 16 bytes long.
 Data: <H &#156;w&#131;           > 48 04 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000283779D77A0, 16 bytes long.
 Data: <  &#156;w&#131;           > 20 04 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000283779D8240, 16 bytes long.
 Data: <&#248; &#156;w&#131;           > F8 03 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000283779D7F20, 16 bytes long.
 Data: <&#208; &#156;w&#131;           > D0 03 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000283779D81F0, 16 bytes long.
 Data: <&#168; &#156;w&#131;           > A8 03 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000283779D23B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000283779D8150, 16 bytes long.
 Data: <  &#156;w&#131;           > 80 03 9C 77 83 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000283779C0380, 320 bytes long.
 Data: <P  w&#131;   &#176;# w&#131;   > 50 81 9D 77 83 02 00 00 B0 23 9D 77 83 02 00 00 
{279} normal block at 0x00000283779D8100, 16 bytes long.
 Data: <&#208;&#134; w&#131;           > D0 86 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000283779D81A0, 16 bytes long.
 Data: <&#168;&#134; w&#131;           > A8 86 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000283779D1AB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000283779D7E30, 16 bytes long.
 Data: < &#134; w&#131;           > 80 86 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000283779D1F90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000283779D82E0, 16 bytes long.
 Data: <&#200;&#133; w&#131;           > C8 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000283779D7610, 16 bytes long.
 Data: <&#160;&#133; w&#131;           > A0 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000283779D7FC0, 16 bytes long.
 Data: <x&#133; w&#131;           > 78 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000283779D7890, 16 bytes long.
 Data: <P&#133; w&#131;           > 50 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000283779D7A70, 16 bytes long.
 Data: <(&#133; w&#131;           > 28 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000283779D80B0, 16 bytes long.
 Data: < &#133; w&#131;           > 00 85 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000283779D8290, 16 bytes long.
 Data: < [ w&#131;           > 90 5B 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000283779D5B90, 40 bytes long.
 Data: < &#130; w&#131;    &#134;]y&#131;   > 90 82 9D 77 83 02 00 00 10 86 5D 79 83 02 00 00 
{265} normal block at 0x00000283779D75C0, 16 bytes long.
 Data: <&#224;&#132; w&#131;           > E0 84 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000283779D7DE0, 16 bytes long.
 Data: <&#184;&#132; w&#131;           > B8 84 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000283779D1C30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000283779D7570, 16 bytes long.
 Data: < &#132; w&#131;           > 90 84 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000283779D8490, 992 bytes long.
 Data: <pu w&#131;   0  w&#131;   > 70 75 9D 77 83 02 00 00 30 1C 9D 77 83 02 00 00 
{97} normal block at 0x00000283779D25F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000283779D0110, 16 bytes long.
 Data: < _ w&#131;           > 10 5F 9D 77 83 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000283779D5F10, 40 bytes long.
 Data: <   w&#131;   &#240;% w&#131;   > 10 01 9D 77 83 02 00 00 F0 25 9D 77 83 02 00 00 
{74} normal block at 0x00000283779CFE90, 16 bytes long.
 Data: < &#234;&#186; &#246;           > 80 EA BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000283779CF8F0, 16 bytes long.
 Data: <@&#233;&#186; &#246;           > 40 E9 BA 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000283779CF3A0, 16 bytes long.
 Data: <&#248;W&#183; &#246;           > F8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000283779CF530, 16 bytes long.
 Data: <&#216;W&#183; &#246;           > D8 57 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000283779CF8A0, 16 bytes long.
 Data: <P &#183; &#246;           > 50 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000283779D02A0, 16 bytes long.
 Data: <0 &#183; &#246;           > 30 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000283779CFFD0, 16 bytes long.
 Data: <&#224; &#183; &#246;           > E0 02 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000283779CFCB0, 16 bytes long.
 Data: <  &#183; &#246;           > 10 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000283779CFF80, 16 bytes long.
 Data: <p &#183; &#246;           > 70 04 B7 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000283779CFF30, 16 bytes long.
 Data: < &#192;&#181; &#246;           > 18 C0 B5 99 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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