Task 38682174

Name test_629-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4532_0
Workunit 31623804
Created 27 Oct 2026, 6:50:34 UTC
Sent 27 Oct 2026, 6:50:44 UTC
Report deadline 1 Nov 2026, 6:50:44 UTC
Received 27 Oct 2026, 7:48:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 31 min 1 sec
CPU time 25 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.02 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:17:35 (19932): wrapper (7.9.26016): starting
01:17:35 (19932): 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
01:17:36 (19932): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:17:36 (19932): 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
01:47:49 (19932): C:/Windows/system32/cmd.exe exited; CPU time 1550.375000
01:47:49 (19932): 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: 27932365 bytes.
Dumping objects ->
{3835228} normal block at 0x0000023F03524620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000023F035245B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000023F035244D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000023F035242A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000023F03524150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000023F051644F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000023F0517E2D0, 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) : {3835139} normal block at 0x0000023F0351E390, 8 bytes long.
 Data: <  &#142; ?   > 00 00 8E 03 3F 02 00 00 
{3834539} normal block at 0x0000023F0517DEB0, 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 0x0000023F0351EB10, 8 bytes long.
 Data: <p4  ?   > 70 34 1C 05 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023F03520720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023F0350F050, 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 0x0000023F03525780, 16 bytes long.
 Data: <HbR ?           > 48 62 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023F03525410, 16 bytes long.
 Data: < bR ?           > 20 62 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023F0351F370, 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 0x0000023F03525500, 16 bytes long.
 Data: <&#248;aR ?           > F8 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023F03525C80, 16 bytes long.
 Data: <&#208;aR ?           > D0 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023F03525960, 16 bytes long.
 Data: <&#168;aR ?           > A8 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F03525910, 16 bytes long.
 Data: < aR ?           > 80 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023F035243F0, 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 0x0000023F03525640, 16 bytes long.
 Data: <x&#181;P ?           > 78 B5 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023F0351FBB0, 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 0x0000023F035255A0, 16 bytes long.
 Data: <P&#181;P ?           > 50 B5 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023F035258C0, 16 bytes long.
 Data: <(&#181;P ?           > 28 B5 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F03525BE0, 16 bytes long.
 Data: < &#181;P ?           > 00 B5 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023F03525820, 16 bytes long.
 Data: <&#216;&#180;P ?           > D8 B4 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F03524F60, 16 bytes long.
 Data: <&#176;&#180;P ?           > B0 B4 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F03525320, 16 bytes long.
 Data: < &#180;P ?           > 88 B4 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023F0351F4F0, 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 0x0000023F035257D0, 16 bytes long.
 Data: <`&#180;P ?           > 60 B4 50 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023F0350B460, 320 bytes long.
 Data: <&#208;WR ?   &#240;&#244;Q ?   > D0 57 52 03 3F 02 00 00 F0 F4 51 03 3F 02 00 00 
{276} normal block at 0x0000023F035252D0, 16 bytes long.
 Data: <`aR ?           > 60 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023F03525B90, 16 bytes long.
 Data: <8aR ?           > 38 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023F0351F490, 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 0x0000023F03525140, 16 bytes long.
 Data: < aR ?           > 10 61 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023F0351FD30, 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 0x0000023F03525D70, 16 bytes long.
 Data: <X`R ?           > 58 60 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F035256E0, 16 bytes long.
 Data: <0`R ?           > 30 60 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023F035259B0, 16 bytes long.
 Data: < `R ?           > 08 60 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F03525A50, 16 bytes long.
 Data: <&#224;_R ?           > E0 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023F03525EB0, 16 bytes long.
 Data: <&#184;_R ?           > B8 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023F03525730, 16 bytes long.
 Data: < _R ?           > 90 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F035251E0, 16 bytes long.
 Data: < FR ?           > 90 46 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023F03524690, 40 bytes long.
 Data: <&#224;QR ?   &#240;D  ?   > E0 51 52 03 3F 02 00 00 F0 44 16 05 3F 02 00 00 
{262} normal block at 0x0000023F03525C30, 16 bytes long.
 Data: <p_R ?           > 70 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023F03525D20, 16 bytes long.
 Data: <H_R ?           > 48 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023F0351F670, 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 0x0000023F03525E60, 16 bytes long.
 Data: < _R ?           > 20 5F 52 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023F03525F20, 992 bytes long.
 Data: <`^R ?   p&#246;Q ?   > 60 5E 52 03 3F 02 00 00 70 F6 51 03 3F 02 00 00 
{94} normal block at 0x0000023F0351F430, 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 0x0000023F0351E2A0, 16 bytes long.
 Data: <&#192;&#223;Q ?           > C0 DF 51 03 3F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023F0351DFC0, 40 bytes long.
 Data: <&#160;&#226;Q ?   0&#244;Q ?   > A0 E2 51 03 3F 02 00 00 30 F4 51 03 3F 02 00 00 
{71} normal block at 0x0000023F0351E110, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023F0351EF70, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023F0351EFC0, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023F0351EED0, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023F0351E610, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F0351E0C0, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F0351E6B0, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F0351E2F0, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F0351EC00, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023F0351E340, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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