Task 38697628

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7372_0
Workunit 31638188
Created 1 Nov 2026, 18:36:58 UTC
Sent 1 Nov 2026, 18:37:02 UTC
Report deadline 6 Nov 2026, 18:37:02 UTC
Received 1 Nov 2026, 19:38:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632230
Run time 1 hours 0 min 1 sec
CPU time 58 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.66 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:38:41 (5864): wrapper (7.9.26016): starting
13:38:41 (5864): 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
13:39:00 (5864): Library/usr/bin/tar.exe exited; CPU time 0.078125
13:39:00 (5864): 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 'P:\ProgramData\BOINC\slots\5\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 'P:\ProgramData\BOINC\slots\5\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
14:38:12 (5864): C:/Windows/system32/cmd.exe exited; CPU time 3497.281250
14:38:12 (5864): 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: 61508457 bytes.
Dumping objects ->
{3835196} normal block at 0x00000271A0ECB510, 48 bytes long.
 Data: <PATH=P:\ProgramD> 50 41 54 48 3D 50 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000271A0ECAD30, 48 bytes long.
 Data: <HOME=P:\ProgramD> 48 4F 4D 45 3D 50 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x00000271A0ECAB70, 48 bytes long.
 Data: <TMP=P:\ProgramDa> 54 4D 50 3D 50 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835163} normal block at 0x00000271A0ECB120, 48 bytes long.
 Data: <TEMP=P:\ProgramD> 54 45 4D 50 3D 50 3A 5C 50 72 6F 67 72 61 6D 44 
{3835152} normal block at 0x00000271A0ECA710, 48 bytes long.
 Data: <TMPDIR=P:\Progra> 54 4D 50 44 49 52 3D 50 3A 5C 50 72 6F 67 72 61 
{3835121} normal block at 0x00000271A2A884A0, 64 bytes long.
 Data: <PATH=P:\ProgramD> 50 41 54 48 3D 50 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835108} normal block at 0x00000271A0E9CBC0, 8 bytes long.
 Data: <  &#186;&#162;q   > 00 00 BA A2 71 02 00 00 
{3833957} normal block at 0x00000271A0E9C490, 8 bytes long.
 Data: < w&#177;&#162;q   > 00 77 B1 A2 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000271A0EA5DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000271A0E8D900, 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 0x00000271A0EA6F00, 16 bytes long.
 Data: <H&#133;&#234;&#160;q           > 48 85 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000271A0EA7DB0, 16 bytes long.
 Data: < &#133;&#234;&#160;q           > 20 85 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000271A0EA3450, 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 0x00000271A0EA6E60, 16 bytes long.
 Data: <&#248;&#132;&#234;&#160;q           > F8 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000271A0EA7D60, 16 bytes long.
 Data: <&#208;&#132;&#234;&#160;q           > D0 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000271A0EA7040, 16 bytes long.
 Data: <&#168;&#132;&#234;&#160;q           > A8 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000271A0EA7BD0, 16 bytes long.
 Data: < &#132;&#234;&#160;q           > 80 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000271A0EA0B20, 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 0x00000271A0EA7360, 16 bytes long.
 Data: <X &#233;&#160;q           > 58 04 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000271A0EA3690, 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 0x00000271A0EA7CC0, 16 bytes long.
 Data: <0 &#233;&#160;q           > 30 04 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000271A0EA7B80, 16 bytes long.
 Data: <  &#233;&#160;q           > 08 04 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000271A0EA7B30, 16 bytes long.
 Data: <&#224; &#233;&#160;q           > E0 03 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000271A0EA7AE0, 16 bytes long.
 Data: <&#184; &#233;&#160;q           > B8 03 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000271A0EA7090, 16 bytes long.
 Data: <  &#233;&#160;q           > 90 03 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000271A0EA7A40, 16 bytes long.
 Data: <h &#233;&#160;q           > 68 03 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000271A0EA38D0, 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 0x00000271A0EA6FA0, 16 bytes long.
 Data: <@ &#233;&#160;q           > 40 03 E9 A0 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000271A0E90340, 320 bytes long.
 Data: <&#160;o&#234;&#160;q   &#208;8&#234;&#160;q   > A0 6F EA A0 71 02 00 00 D0 38 EA A0 71 02 00 00 
{274} normal block at 0x00000271A0EA79F0, 16 bytes long.
 Data: <`&#132;&#234;&#160;q           > 60 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000271A0EA7900, 16 bytes long.
 Data: <8&#132;&#234;&#160;q           > 38 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000271A0EA3150, 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 0x00000271A0EA78B0, 16 bytes long.
 Data: < &#132;&#234;&#160;q           > 10 84 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000271A0EA3810, 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 0x00000271A0EA7C70, 16 bytes long.
 Data: <X&#131;&#234;&#160;q           > 58 83 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000271A0EA7860, 16 bytes long.
 Data: <0&#131;&#234;&#160;q           > 30 83 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000271A0EA7310, 16 bytes long.
 Data: < &#131;&#234;&#160;q           > 08 83 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000271A0EA77C0, 16 bytes long.
 Data: <&#224;&#130;&#234;&#160;q           > E0 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000271A0EA7590, 16 bytes long.
 Data: <&#184;&#130;&#234;&#160;q           > B8 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000271A0EA7770, 16 bytes long.
 Data: < &#130;&#234;&#160;q           > 90 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000271A0EA74F0, 16 bytes long.
 Data: <  &#234;&#160;q           > 00 0C EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000271A0EA0C00, 40 bytes long.
 Data: <&#240;t&#234;&#160;q   &#160;&#132;&#168;&#162;q   > F0 74 EA A0 71 02 00 00 A0 84 A8 A2 71 02 00 00 
{260} normal block at 0x00000271A0EA75E0, 16 bytes long.
 Data: <p&#130;&#234;&#160;q           > 70 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000271A0EA72C0, 16 bytes long.
 Data: <H&#130;&#234;&#160;q           > 48 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000271A0EA33F0, 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 0x00000271A0EA7680, 16 bytes long.
 Data: < &#130;&#234;&#160;q           > 20 82 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000271A0EA8220, 992 bytes long.
 Data: < v&#234;&#160;q   &#240;3&#234;&#160;q   > 80 76 EA A0 71 02 00 00 F0 33 EA A0 71 02 00 00 
{92} normal block at 0x00000271A0EA3390, 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 0x00000271A0E9C350, 16 bytes long.
 Data: <  &#234;&#160;q           > 20 12 EA A0 71 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000271A0EA1220, 40 bytes long.
 Data: <P&#195;&#233;&#160;q    3&#234;&#160;q   > 50 C3 E9 A0 71 02 00 00 90 33 EA A0 71 02 00 00 
{69} normal block at 0x00000271A0E9C120, 16 bytes long.
 Data: < &#234;&#158;c&#247;           > 80 EA 9E 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000271A0E9CB20, 16 bytes long.
 Data: <@&#233;&#158;c&#247;           > 40 E9 9E 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000271A0E9BEA0, 16 bytes long.
 Data: <&#248;W&#155;c&#247;           > F8 57 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000271A0E9CB70, 16 bytes long.
 Data: <&#216;W&#155;c&#247;           > D8 57 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000271A0E9C170, 16 bytes long.
 Data: <P &#155;c&#247;           > 50 04 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000271A0E9C8F0, 16 bytes long.
 Data: <0 &#155;c&#247;           > 30 04 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000271A0E9C8A0, 16 bytes long.
 Data: <&#224; &#155;c&#247;           > E0 02 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000271A0E9C800, 16 bytes long.
 Data: <  &#155;c&#247;           > 10 04 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000271A0E9BE50, 16 bytes long.
 Data: <p &#155;c&#247;           > 70 04 9B 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000271A0E9C030, 16 bytes long.
 Data: < &#192; c&#247;           > 18 C0 99 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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