Task 38655562

Name test_473-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2063_0
Workunit 31599315
Created 24 Oct 2026, 9:41:44 UTC
Sent 24 Oct 2026, 9:41:53 UTC
Report deadline 29 Oct 2026, 9:41:53 UTC
Received 24 Oct 2026, 12:23:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 39 min 29 sec
CPU time 38 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.67 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:43:27 (27644): wrapper (7.9.26016): starting
06:43:27 (27644): 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
06:43:28 (27644): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:43:28 (27644): 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
07:23:00 (27644): C:/Windows/system32/cmd.exe exited; CPU time 2291.625000
07:23:00 (27644): 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: 49915683 bytes.
Dumping objects ->
{3835276} normal block at 0x000001648ED75F20, 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 0x000001648ED754A0, 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 0x000001648ED76070, 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 0x000001648D1051A0, 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 0x000001648D105750, 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 0x000001648ED18B30, 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 0x000001648D0FD770, 8 bytes long.
 Data: <  Z d   > 00 00 5A 8D 64 01 00 00 
{3833963} normal block at 0x000001648D0FD950, 8 bytes long.
 Data: < &#230;  d   > 10 E6 1D 8D 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001648D101890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001648D0F6970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001648D1068E0, 16 bytes long.
 Data: <Ho  d           > 48 6F 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001648D106840, 16 bytes long.
 Data: < o  d           > 20 6F 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001648D100160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001648D106160, 16 bytes long.
 Data: <&#248;n  d           > F8 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001648D1060C0, 16 bytes long.
 Data: <&#208;n  d           > D0 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001648D106890, 16 bytes long.
 Data: <&#168;n  d           > A8 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001648D105CB0, 16 bytes long.
 Data: < n  d           > 80 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001648D105360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001648D106520, 16 bytes long.
 Data: <(&#149;  d           > 28 95 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001648D0FF920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001648D106070, 16 bytes long.
 Data: < &#149;  d           > 00 95 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001648D106B10, 16 bytes long.
 Data: <&#216;&#148;  d           > D8 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001648D106660, 16 bytes long.
 Data: <&#176;&#148;  d           > B0 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001648D105DA0, 16 bytes long.
 Data: < &#148;  d           > 88 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001648D105FD0, 16 bytes long.
 Data: <`&#148;  d           > 60 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001648D105F30, 16 bytes long.
 Data: <8&#148;  d           > 38 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001648D0FFAA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001648D105EE0, 16 bytes long.
 Data: < &#148;  d           > 10 94 0F 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001648D0F9410, 320 bytes long.
 Data: <&#224;^  d   &#160;&#250;  d   > E0 5E 10 8D 64 01 00 00 A0 FA 0F 8D 64 01 00 00 
{277} normal block at 0x000001648D1065C0, 16 bytes long.
 Data: <`n  d           > 60 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001648D106610, 16 bytes long.
 Data: <8n  d           > 38 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001648D1000A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001648D105E90, 16 bytes long.
 Data: < n  d           > 10 6E 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001648D0FFBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001648D1062F0, 16 bytes long.
 Data: <Xm  d           > 58 6D 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001648D106480, 16 bytes long.
 Data: <0m  d           > 30 6D 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001648D1064D0, 16 bytes long.
 Data: < m  d           > 08 6D 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001648D105D00, 16 bytes long.
 Data: <&#224;l  d           > E0 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001648D106110, 16 bytes long.
 Data: <&#184;l  d           > B8 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001648D1067F0, 16 bytes long.
 Data: < l  d           > 90 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001648D106AC0, 16 bytes long.
 Data: <pV  d           > 70 56 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001648D105670, 40 bytes long.
 Data: <&#192;j  d   0&#139;&#209;&#142;d   > C0 6A 10 8D 64 01 00 00 30 8B D1 8E 64 01 00 00 
{263} normal block at 0x000001648D105D50, 16 bytes long.
 Data: <pl  d           > 70 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001648D105F80, 16 bytes long.
 Data: <Hl  d           > 48 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001648D0FF980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001648D106430, 16 bytes long.
 Data: < l  d           > 20 6C 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001648D106C20, 992 bytes long.
 Data: <0d  d    &#249;  d   > 30 64 10 8D 64 01 00 00 80 F9 0F 8D 64 01 00 00 
{95} normal block at 0x000001648D0FF740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001648D0FD8B0, 16 bytes long.
 Data: <&#208;S  d           > D0 53 10 8D 64 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001648D1053D0, 40 bytes long.
 Data: <&#176;&#216;  d   @&#247;  d   > B0 D8 0F 8D 64 01 00 00 40 F7 0F 8D 64 01 00 00 
{72} normal block at 0x000001648D0FDE50, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001648D0FE080, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001648D0FDF90, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001648D0FDDB0, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001648D0FD9A0, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001648D0FE5D0, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001648D0FDC70, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001648D0FD9F0, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001648D0FDD60, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001648D0FDB30, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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