Task 38670506

Name test_740-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7625_0
Workunit 31612752
Created 25 Oct 2026, 17:46:06 UTC
Sent 25 Oct 2026, 17:46:10 UTC
Report deadline 30 Oct 2026, 17:46:10 UTC
Received 25 Oct 2026, 18:44:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 32 sec
CPU time 19 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.50 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:25:40 (3168): wrapper (7.9.26016): starting
14:25:40 (3168): 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
14:25:41 (3168): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:25:41 (3168): 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
14:44:31 (3168): C:/Windows/system32/cmd.exe exited; CPU time 1148.453125
14:44:31 (3168): 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: 16089807 bytes.
Dumping objects ->
{3835562} normal block at 0x0000021A36101230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x0000021A36100AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000021A36100DD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x0000021A36100820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x0000021A36100F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x0000021A361C7790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x0000021A3618E000, 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) : {3835473} normal block at 0x0000021A3430F500, 8 bytes long.
 Data: <   4    > 00 00 81 34 1A 02 00 00 
{3834695} normal block at 0x0000021A3618E840, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000021A3430F550, 8 bytes long.
 Data: < &#234; 6    > 00 EA 08 36 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021A34310850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021A342FE7B0, 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 0x0000021A34315F20, 16 bytes long.
 Data: < U14            > 18 55 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021A34315D90, 16 bytes long.
 Data: <&#240;T14            > F0 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021A34310120, 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 0x0000021A343163D0, 16 bytes long.
 Data: <&#200;T14            > C8 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021A34316380, 16 bytes long.
 Data: <&#160;T14            > A0 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021A34315CA0, 16 bytes long.
 Data: <xT14            > 78 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021A34315C00, 16 bytes long.
 Data: <PT14            > 50 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021A34313BA0, 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 0x0000021A343159D0, 16 bytes long.
 Data: <X&#249;/4            > 58 F9 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021A34310000, 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 0x0000021A343158E0, 16 bytes long.
 Data: <0&#249;/4            > 30 F9 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021A34315980, 16 bytes long.
 Data: < &#249;/4            > 08 F9 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021A34316560, 16 bytes long.
 Data: <&#224;&#248;/4            > E0 F8 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021A343162E0, 16 bytes long.
 Data: <&#184;&#248;/4            > B8 F8 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021A34316240, 16 bytes long.
 Data: < &#248;/4            > 90 F8 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021A34315890, 16 bytes long.
 Data: <h&#248;/4            > 68 F8 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021A3430FA00, 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 0x0000021A34315D40, 16 bytes long.
 Data: <@&#248;/4            > 40 F8 2F 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021A342FF840, 320 bytes long.
 Data: <@]14     &#250;04    > 40 5D 31 34 1A 02 00 00 00 FA 30 34 1A 02 00 00 
{279} normal block at 0x0000021A34316290, 16 bytes long.
 Data: <0T14            > 30 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021A34316510, 16 bytes long.
 Data: < T14            > 08 54 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021A343103C0, 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 0x0000021A343161F0, 16 bytes long.
 Data: <&#224;S14            > E0 53 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021A3430F880, 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 0x0000021A34315E80, 16 bytes long.
 Data: <(S14            > 28 53 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021A34315A70, 16 bytes long.
 Data: < S14            > 00 53 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021A34316330, 16 bytes long.
 Data: <&#216;R14            > D8 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021A34315CF0, 16 bytes long.
 Data: <&#176;R14            > B0 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021A34315E30, 16 bytes long.
 Data: < R14            > 88 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021A3430E6F0, 16 bytes long.
 Data: <`R14            > 60 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A3430F460, 16 bytes long.
 Data: <&#240;514            > F0 35 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021A343135F0, 40 bytes long.
 Data: <`&#244;04     w 6    > 60 F4 30 34 1A 02 00 00 90 77 1C 36 1A 02 00 00 
{265} normal block at 0x0000021A3430F320, 16 bytes long.
 Data: <@R14            > 40 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021A3430ED80, 16 bytes long.
 Data: < R14            > 18 52 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021A34310420, 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 0x0000021A3430E920, 16 bytes long.
 Data: <&#240;Q14            > F0 51 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021A343151F0, 992 bytes long.
 Data: < &#233;04      14    > 20 E9 30 34 1A 02 00 00 20 04 31 34 1A 02 00 00 
{97} normal block at 0x0000021A34310240, 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 0x0000021A3430E830, 16 bytes long.
 Data: <&#224;914            > E0 39 31 34 1A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021A343139E0, 40 bytes long.
 Data: <0&#232;04    @ 14    > 30 E8 30 34 1A 02 00 00 40 02 31 34 1A 02 00 00 
{74} normal block at 0x0000021A3430EB00, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021A3430F640, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021A3430E880, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021A3430F4B0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021A3430EC90, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021A3430F1E0, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021A3430F0F0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021A3430E9C0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021A3430EDD0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021A3430F410, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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