Task 38664100

Name test_249-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4071_0
Workunit 31607274
Created 24 Oct 2026, 23:12:15 UTC
Sent 24 Oct 2026, 23:12:25 UTC
Report deadline 29 Oct 2026, 23:12:25 UTC
Received 24 Oct 2026, 23:39:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 21 min 50 sec
CPU time 20 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.11 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:16:59 (30156): wrapper (7.9.26016): starting
01:16:59 (30156): 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
01:17:00 (30156): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:17:00 (30156): 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
01:37:56 (30156): C:/Windows/system32/cmd.exe exited; CPU time 1240.890625
01:37:56 (30156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 23359133 bytes.
Dumping objects ->
{3835481} normal block at 0x00000159BAF71420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x00000159B90A8880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x00000159B90A8810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x00000159B90A8730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x00000159B90A8C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x00000159BAFB84E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x00000159B9101070, 141 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) : {3835392} normal block at 0x00000159B90A2460, 8 bytes long.
 Data: <  ^&#185;Y   > 00 00 5E B9 59 01 00 00 
{3834669} normal block at 0x00000159B91005E0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000159B90A1CE0, 8 bytes long.
 Data: < &#224; &#185;Y   > 90 E0 08 B9 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000159B9097C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000159B9098BA0, 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 0x00000159B90A8E00, 16 bytes long.
 Data: <&#248;&#159; &#185;Y           > F8 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000159B90A9120, 16 bytes long.
 Data: <&#208;&#159; &#185;Y           > D0 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000159B90A0390, 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 0x00000159B90A98F0, 16 bytes long.
 Data: <&#168;&#159; &#185;Y           > A8 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000159B90A9260, 16 bytes long.
 Data: < &#159; &#185;Y           > 80 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000159B90A8F40, 16 bytes long.
 Data: <X&#159; &#185;Y           > 58 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000159B90A8DB0, 16 bytes long.
 Data: <0&#159; &#185;Y           > 30 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000159B90A85E0, 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 0x00000159B90A95D0, 16 bytes long.
 Data: <  	&#185;Y           > 08 12 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000159B909FA30, 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 0x00000159B90A9490, 16 bytes long.
 Data: <&#224; 	&#185;Y           > E0 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000159B90A9B20, 16 bytes long.
 Data: <&#184; 	&#185;Y           > B8 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000159B90A9080, 16 bytes long.
 Data: <  	&#185;Y           > 90 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000159B90A90D0, 16 bytes long.
 Data: <h 	&#185;Y           > 68 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000159B90A9670, 16 bytes long.
 Data: <@ 	&#185;Y           > 40 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000159B90A9170, 16 bytes long.
 Data: <  	&#185;Y           > 18 11 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000159B90A0630, 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 0x00000159B90A9440, 16 bytes long.
 Data: <&#240; 	&#185;Y           > F0 10 09 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000159B90910F0, 320 bytes long.
 Data: <@&#148; &#185;Y   0  &#185;Y   > 40 94 0A B9 59 01 00 00 30 06 0A B9 59 01 00 00 
{277} normal block at 0x00000159B90A9990, 16 bytes long.
 Data: < &#159; &#185;Y           > 10 9F 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000159B90A9580, 16 bytes long.
 Data: <&#232;&#158; &#185;Y           > E8 9E 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000159B90A07B0, 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 0x00000159B90A98A0, 16 bytes long.
 Data: <&#192;&#158; &#185;Y           > C0 9E 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000159B909F9D0, 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 0x00000159B90A94E0, 16 bytes long.
 Data: < &#158; &#185;Y           > 08 9E 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000159B90A93F0, 16 bytes long.
 Data: <&#224;  &#185;Y           > E0 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000159B90A99E0, 16 bytes long.
 Data: <&#184;  &#185;Y           > B8 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000159B90A9940, 16 bytes long.
 Data: <   &#185;Y           > 90 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000159B90A8D60, 16 bytes long.
 Data: <h  &#185;Y           > 68 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000159B90A9A30, 16 bytes long.
 Data: <@  &#185;Y           > 40 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000159B90A9850, 16 bytes long.
 Data: <p&#133; &#185;Y           > 70 85 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000159B90A8570, 40 bytes long.
 Data: <P  &#185;Y   &#224;&#132;&#251;&#186;Y   > 50 98 0A B9 59 01 00 00 E0 84 FB BA 59 01 00 00 
{263} normal block at 0x00000159B90A9530, 16 bytes long.
 Data: <   &#185;Y           > 20 9D 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000159B90A9BC0, 16 bytes long.
 Data: <&#248;&#156; &#185;Y           > F8 9C 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000159B909FC10, 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 0x00000159B90A9800, 16 bytes long.
 Data: <&#208;&#156; &#185;Y           > D0 9C 0A B9 59 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000159B90A9CD0, 992 bytes long.
 Data: <   &#185;Y    &#252;	&#185;Y   > 00 98 0A B9 59 01 00 00 10 FC 09 B9 59 01 00 00 
{95} normal block at 0x00000159B90A08D0, 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 0x00000159B90A1B50, 16 bytes long.
 Data: <&#224;&#236; &#185;Y           > E0 EC 08 B9 59 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000159B908ECE0, 40 bytes long.
 Data: <P  &#185;Y   &#208;  &#185;Y   > 50 1B 0A B9 59 01 00 00 D0 08 0A B9 59 01 00 00 
{72} normal block at 0x00000159B90A1D80, 16 bytes long.
 Data: < &#234;pR&#246;           > 80 EA 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000159B90A1DD0, 16 bytes long.
 Data: <@&#233;pR&#246;           > 40 E9 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000159B90A2370, 16 bytes long.
 Data: <&#248;WmR&#246;           > F8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000159B90A1E70, 16 bytes long.
 Data: <&#216;WmR&#246;           > D8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000159B90A2690, 16 bytes long.
 Data: <P mR&#246;           > 50 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000159B90A2140, 16 bytes long.
 Data: <0 mR&#246;           > 30 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000159B90A2640, 16 bytes long.
 Data: <&#224; mR&#246;           > E0 02 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000159B90A21E0, 16 bytes long.
 Data: <  mR&#246;           > 10 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000159B90A2820, 16 bytes long.
 Data: <p mR&#246;           > 70 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000159B90A25A0, 16 bytes long.
 Data: < &#192;kR&#246;           > 18 C0 6B 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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