Task 38685256

Name test_826-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5332_0
Workunit 31626732
Created 27 Oct 2026, 20:11:29 UTC
Sent 27 Oct 2026, 20:11:32 UTC
Report deadline 1 Nov 2026, 20:11:32 UTC
Received 27 Oct 2026, 20:33:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 36 sec
CPU time 20 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.85 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:12:49 (61956): wrapper (7.9.26016): starting
15:12:49 (61956): 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
15:12:50 (61956): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:12:50 (61956): 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\32\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\32\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: Exiting with failure status due to previous errors
15:33:19 (61956): C:/Windows/system32/cmd.exe exited; CPU time 1202.359375
15:33:19 (61956): 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: 36007075 bytes.
Dumping objects ->
{3835311} normal block at 0x000001C978B3A390, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001C978B3A5C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001C978B3A940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001C978B3A400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001C978B3AC50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001C978ADCE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001C978B3F590, 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) : {3835222} normal block at 0x000001C976D4ED20, 8 bytes long.
 Data: <  .w&#201;   > 00 00 2E 77 C9 01 00 00 
{3834575} normal block at 0x000001C978B3EBF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001C976D4EB90, 8 bytes long.
 Data: <&#160;I&#184;x&#201;   > A0 49 B8 78 C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C976D46620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C976D47C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001C976D56820, 16 bytes long.
 Data: <&#168;Z&#213;v&#201;           > A8 5A D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C976D55E20, 16 bytes long.
 Data: < Z&#213;v&#201;           > 80 5A D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C976D50C70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001C976D55DD0, 16 bytes long.
 Data: <XZ&#213;v&#201;           > 58 5A D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C976D55C40, 16 bytes long.
 Data: <0Z&#213;v&#201;           > 30 5A D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C976D55C90, 16 bytes long.
 Data: < Z&#213;v&#201;           > 08 5A D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C976D55E70, 16 bytes long.
 Data: <&#224;Y&#213;v&#201;           > E0 59 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C976D54050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001C976D56B40, 16 bytes long.
 Data: <&#232;&#251;&#211;v&#201;           > E8 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C976D50910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001C976D56000, 16 bytes long.
 Data: <&#192;&#251;&#211;v&#201;           > C0 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C976D560F0, 16 bytes long.
 Data: < &#251;&#211;v&#201;           > 98 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C976D560A0, 16 bytes long.
 Data: <p&#251;&#211;v&#201;           > 70 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C976D56460, 16 bytes long.
 Data: <H&#251;&#211;v&#201;           > 48 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C976D56320, 16 bytes long.
 Data: < &#251;&#211;v&#201;           > 20 FB D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C976D56960, 16 bytes long.
 Data: <&#248;&#250;&#211;v&#201;           > F8 FA D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C976D4FF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001C976D56A50, 16 bytes long.
 Data: <&#208;&#250;&#211;v&#201;           > D0 FA D3 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C976D3FAD0, 320 bytes long.
 Data: <Pj&#213;v&#201;   P&#255;&#212;v&#201;   > 50 6A D5 76 C9 01 00 00 50 FF D4 76 C9 01 00 00 
{276} normal block at 0x000001C976D56690, 16 bytes long.
 Data: <&#192;Y&#213;v&#201;           > C0 59 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C976D562D0, 16 bytes long.
 Data: < Y&#213;v&#201;           > 98 59 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C976D50610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001C976D55BF0, 16 bytes long.
 Data: <pY&#213;v&#201;           > 70 59 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C976D507F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001C976D564B0, 16 bytes long.
 Data: <&#184;X&#213;v&#201;           > B8 58 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C976D56370, 16 bytes long.
 Data: < X&#213;v&#201;           > 90 58 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C976D56AA0, 16 bytes long.
 Data: <hX&#213;v&#201;           > 68 58 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C976D56140, 16 bytes long.
 Data: <@X&#213;v&#201;           > 40 58 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C976D56AF0, 16 bytes long.
 Data: < X&#213;v&#201;           > 18 58 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C976D4E640, 16 bytes long.
 Data: <&#240;W&#213;v&#201;           > F0 57 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C976D4F3B0, 16 bytes long.
 Data: <P9&#213;v&#201;           > 50 39 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C976D53950, 40 bytes long.
 Data: <&#176;&#243;&#212;v&#201;    &#206;&#173;x&#201;   > B0 F3 D4 76 C9 01 00 00 00 CE AD 78 C9 01 00 00 
{262} normal block at 0x000001C976D4F2C0, 16 bytes long.
 Data: <&#208;W&#213;v&#201;           > D0 57 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C976D4E500, 16 bytes long.
 Data: <&#168;W&#213;v&#201;           > A8 57 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C976D4FE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001C976D4F040, 16 bytes long.
 Data: < W&#213;v&#201;           > 80 57 D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C976D55780, 992 bytes long.
 Data: <@&#240;&#212;v&#201;    &#254;&#212;v&#201;   > 40 F0 D4 76 C9 01 00 00 90 FE D4 76 C9 01 00 00 
{94} normal block at 0x000001C976D50490, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001C976D4ED70, 16 bytes long.
 Data: <p?&#213;v&#201;           > 70 3F D5 76 C9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C976D53F70, 40 bytes long.
 Data: <p&#237;&#212;v&#201;     &#213;v&#201;   > 70 ED D4 76 C9 01 00 00 90 04 D5 76 C9 01 00 00 
{71} normal block at 0x000001C976D4EAF0, 16 bytes long.
 Data: < &#234;2B&#247;           > 80 EA 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C976D4EAA0, 16 bytes long.
 Data: <@&#233;2B&#247;           > 40 E9 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C976D4EF00, 16 bytes long.
 Data: <&#248;W/B&#247;           > F8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C976D4E5A0, 16 bytes long.
 Data: <&#216;W/B&#247;           > D8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C976D4F360, 16 bytes long.
 Data: <P /B&#247;           > 50 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C976D4E910, 16 bytes long.
 Data: <0 /B&#247;           > 30 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C976D4E8C0, 16 bytes long.
 Data: <&#224; /B&#247;           > E0 02 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C976D4E690, 16 bytes long.
 Data: <  /B&#247;           > 10 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C976D4F090, 16 bytes long.
 Data: <p /B&#247;           > 70 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C976D4F180, 16 bytes long.
 Data: < &#192;-B&#247;           > 18 C0 2D 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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