Task 38698746

Name test_65-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5588_1
Workunit 31631146
Created 3 Nov 2026, 0:55:50 UTC
Sent 3 Nov 2026, 0:55:53 UTC
Report deadline 8 Nov 2026, 0:55:53 UTC
Received 3 Nov 2026, 1:23:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 22 min 22 sec
CPU time 20 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 770.79 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:01:27 (3492): wrapper (7.9.26016): starting
03:01:27 (3492): 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
03:01:29 (3492): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:29 (3492): 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\1\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\1\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
03:23:00 (3492): C:/Windows/system32/cmd.exe exited; CPU time 1245.828125
03:23:00 (3492): 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: 19787663 bytes.
Dumping objects ->
{3835317} normal block at 0x0000020804AA52E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x0000020804AA54A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000020804AA53C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x0000020804AA4FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000020804AA5200, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000002080687A500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002080688ED60, 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) : {3835228} normal block at 0x0000020804A9F5F0, 8 bytes long.
 Data: <  &#167;     > 00 00 A7 04 08 02 00 00 
{3834592} normal block at 0x000002080688ECB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000020804A9FAF0, 8 bytes long.
 Data: <0&#212;&#183;     > 30 D4 B7 04 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020804AA1BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020804A95C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020804AA59B0, 16 bytes long.
 Data: <xi&#170;             > 78 69 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020804AA5E60, 16 bytes long.
 Data: <Pi&#170;             > 50 69 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020804A9DB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020804AA6540, 16 bytes long.
 Data: <(i&#170;             > 28 69 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020804AA63B0, 16 bytes long.
 Data: < i&#170;             > 00 69 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020804AA64F0, 16 bytes long.
 Data: <&#216;h&#170;             > D8 68 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020804AA5DC0, 16 bytes long.
 Data: <&#176;h&#170;             > B0 68 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020804AA4E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020804AA65E0, 16 bytes long.
 Data: <8&#143;&#169;             > 38 8F A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020804A9E2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020804AA5910, 16 bytes long.
 Data: < &#143;&#169;             > 10 8F A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020804AA5F00, 16 bytes long.
 Data: <&#232; &#169;             > E8 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020804AA58C0, 16 bytes long.
 Data: <&#192; &#169;             > C0 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020804AA6590, 16 bytes long.
 Data: <  &#169;             > 98 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020804AA5B90, 16 bytes long.
 Data: <p &#169;             > 70 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020804AA5AA0, 16 bytes long.
 Data: <H &#169;             > 48 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020804A9DB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020804AA6360, 16 bytes long.
 Data: <  &#169;             > 20 8E A9 04 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020804A98E20, 320 bytes long.
 Data: <`c&#170;      &#219;&#169;     > 60 63 AA 04 08 02 00 00 10 DB A9 04 08 02 00 00 
{280} normal block at 0x0000020804AA61D0, 16 bytes long.
 Data: < h&#170;             > 90 68 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020804AA5960, 16 bytes long.
 Data: <hh&#170;             > 68 68 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020804A9D510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020804AA64A0, 16 bytes long.
 Data: <@h&#170;             > 40 68 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020804A9D450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020804AA5870, 16 bytes long.
 Data: < g&#170;             > 88 67 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020804AA5A50, 16 bytes long.
 Data: <`g&#170;             > 60 67 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020804AA5EB0, 16 bytes long.
 Data: <8g&#170;             > 38 67 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020804AA5690, 16 bytes long.
 Data: < g&#170;             > 10 67 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020804AA5730, 16 bytes long.
 Data: <&#232;f&#170;             > E8 66 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020804AA60E0, 16 bytes long.
 Data: <&#192;f&#170;             > C0 66 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020804AA5CD0, 16 bytes long.
 Data: <@P&#170;             > 40 50 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020804AA5040, 40 bytes long.
 Data: <&#208;\&#170;       &#135;     > D0 5C AA 04 08 02 00 00 00 A5 87 06 08 02 00 00 
{266} normal block at 0x0000020804AA5780, 16 bytes long.
 Data: <&#160;f&#170;             > A0 66 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020804AA5FA0, 16 bytes long.
 Data: <xf&#170;             > 78 66 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020804A9DFF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020804AA5A00, 16 bytes long.
 Data: <Pf&#170;             > 50 66 AA 04 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020804AA6650, 992 bytes long.
 Data: < Z&#170;     &#240;&#223;&#169;     > 00 5A AA 04 08 02 00 00 F0 DF A9 04 08 02 00 00 
{98} normal block at 0x0000020804A9DCF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020804A9F320, 16 bytes long.
 Data: <&#192;&#225;&#168;             > C0 E1 A8 04 08 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020804A8E1C0, 40 bytes long.
 Data: < &#243;&#169;     &#240;&#220;&#169;     > 20 F3 A9 04 08 02 00 00 F0 DC A9 04 08 02 00 00 
{75} normal block at 0x0000020804A9F0F0, 16 bytes long.
 Data: < &#234;&#218;&#226;&#247;           > 80 EA DA E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020804A9FE60, 16 bytes long.
 Data: <@&#233;&#218;&#226;&#247;           > 40 E9 DA E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020804A9F370, 16 bytes long.
 Data: <&#248;W&#215;&#226;&#247;           > F8 57 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020804A9F2D0, 16 bytes long.
 Data: <&#216;W&#215;&#226;&#247;           > D8 57 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020804A9F5A0, 16 bytes long.
 Data: <P &#215;&#226;&#247;           > 50 04 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020804A9FB90, 16 bytes long.
 Data: <0 &#215;&#226;&#247;           > 30 04 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020804A9FA00, 16 bytes long.
 Data: <&#224; &#215;&#226;&#247;           > E0 02 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020804A9F190, 16 bytes long.
 Data: <  &#215;&#226;&#247;           > 10 04 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020804A9EFB0, 16 bytes long.
 Data: <p &#215;&#226;&#247;           > 70 04 D7 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020804A9FC80, 16 bytes long.
 Data: < &#192;&#213;&#226;&#247;           > 18 C0 D5 E2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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