Task 38674834

Name test_333-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0547_0
Workunit 31616843
Created 26 Oct 2026, 6:28:07 UTC
Sent 26 Oct 2026, 6:28:12 UTC
Report deadline 31 Oct 2026, 6:28:12 UTC
Received 26 Oct 2026, 7:26:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 52 min 35 sec
CPU time 49 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.19 MB
Peak swap size 3.82 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:34:09 (13188): wrapper (7.9.26016): starting
01:34:09 (13188): 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
01:34:11 (13188): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:34:11 (13188): 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\2\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\2\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
02:25:30 (13188): C:/Windows/system32/cmd.exe exited; CPU time 2962.937500
02:25:30 (13188): 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: 39155545 bytes.
Dumping objects ->
{3835276} normal block at 0x000001B448844790, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001B448844B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001B4488444F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001B448844480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001B4488446B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001B44A3A4F60, 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) : {3835188} normal block at 0x000001B44883FC60, 8 bytes long.
 Data: <  &#183;H&#180;   > 00 00 B7 48 B4 01 00 00 
{3833957} normal block at 0x000001B448840250, 8 bytes long.
 Data: <&#208;HCJ&#180;   > D0 48 43 4A B4 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B448841170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B448836AC0, 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 0x000001B4488459B0, 16 bytes long.
 Data: <&#168;T&#132;H&#180;           > A8 54 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B448845D70, 16 bytes long.
 Data: < T&#132;H&#180;           > 80 54 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B44883F070, 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 0x000001B4488460E0, 16 bytes long.
 Data: <XT&#132;H&#180;           > 58 54 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B448845E10, 16 bytes long.
 Data: <0T&#132;H&#180;           > 30 54 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B448845F50, 16 bytes long.
 Data: < T&#132;H&#180;           > 08 54 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B448845780, 16 bytes long.
 Data: <&#224;S&#132;H&#180;           > E0 53 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B448844720, 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 0x000001B448845B40, 16 bytes long.
 Data: < &#142;&#131;H&#180;           > 98 8E 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B44883EFB0, 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 0x000001B448846450, 16 bytes long.
 Data: <p&#142;&#131;H&#180;           > 70 8E 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B448845D20, 16 bytes long.
 Data: <H&#142;&#131;H&#180;           > 48 8E 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B448845640, 16 bytes long.
 Data: < &#142;&#131;H&#180;           > 20 8E 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B448845960, 16 bytes long.
 Data: <&#248; &#131;H&#180;           > F8 8D 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B448845CD0, 16 bytes long.
 Data: <&#208; &#131;H&#180;           > D0 8D 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B4488464A0, 16 bytes long.
 Data: <&#168; &#131;H&#180;           > A8 8D 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B44883EF50, 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 0x000001B448845C80, 16 bytes long.
 Data: <  &#131;H&#180;           > 80 8D 83 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B448838D80, 320 bytes long.
 Data: < \&#132;H&#180;   P&#239;&#131;H&#180;   > 80 5C 84 48 B4 01 00 00 50 EF 83 48 B4 01 00 00 
{274} normal block at 0x000001B4488458C0, 16 bytes long.
 Data: <&#192;S&#132;H&#180;           > C0 53 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B448845820, 16 bytes long.
 Data: < S&#132;H&#180;           > 98 53 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B44883EEF0, 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 0x000001B448846130, 16 bytes long.
 Data: <pS&#132;H&#180;           > 70 53 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B44883E530, 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 0x000001B4488455F0, 16 bytes long.
 Data: <&#184;R&#132;H&#180;           > B8 52 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B448845FA0, 16 bytes long.
 Data: < R&#132;H&#180;           > 90 52 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B448845870, 16 bytes long.
 Data: <hR&#132;H&#180;           > 68 52 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B448845AA0, 16 bytes long.
 Data: <@R&#132;H&#180;           > 40 52 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B44883F800, 16 bytes long.
 Data: < R&#132;H&#180;           > 18 52 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B44883F710, 16 bytes long.
 Data: <&#240;Q&#132;H&#180;           > F0 51 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B44883F6C0, 16 bytes long.
 Data: <&#160;J&#132;H&#180;           > A0 4A 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B448844AA0, 40 bytes long.
 Data: <&#192;&#246;&#131;H&#180;   `O:J&#180;   > C0 F6 83 48 B4 01 00 00 60 4F 3A 4A B4 01 00 00 
{260} normal block at 0x000001B448840390, 16 bytes long.
 Data: <&#208;Q&#132;H&#180;           > D0 51 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B4488402A0, 16 bytes long.
 Data: <&#168;Q&#132;H&#180;           > A8 51 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B44883F370, 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 0x000001B44883F670, 16 bytes long.
 Data: < Q&#132;H&#180;           > 80 51 84 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B448845180, 992 bytes long.
 Data: <p&#246;&#131;H&#180;   p&#243;&#131;H&#180;   > 70 F6 83 48 B4 01 00 00 70 F3 83 48 B4 01 00 00 
{92} normal block at 0x000001B44883E710, 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 0x000001B44883FB20, 16 bytes long.
 Data: <&#192;&#238;&#130;H&#180;           > C0 EE 82 48 B4 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B44882EEC0, 40 bytes long.
 Data: < &#251;&#131;H&#180;    &#231;&#131;H&#180;   > 20 FB 83 48 B4 01 00 00 10 E7 83 48 B4 01 00 00 
{69} normal block at 0x000001B44883FDF0, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B448840020, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B44883FB70, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B44883F8A0, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B44883FAD0, 16 bytes long.
 Data: <P  z&#246;           > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B44883FF30, 16 bytes long.
 Data: <0  z&#246;           > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B44883FE40, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B44883F940, 16 bytes long.
 Data: <   z&#246;           > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B44883FD50, 16 bytes long.
 Data: <p  z&#246;           > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B44883FFD0, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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