Task 38668960

Name test_832-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND9666_0
Workunit 31611366
Created 25 Oct 2026, 13:14:23 UTC
Sent 25 Oct 2026, 13:14:26 UTC
Report deadline 30 Oct 2026, 13:14:26 UTC
Received 25 Oct 2026, 13:58:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 20 min 57 sec
CPU time 17 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.26 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:26:01 (16300): wrapper (7.9.26016): starting
08:26:01 (16300): 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
08:26:02 (16300): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:26:02 (16300): 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\24\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\24\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
08:45:55 (16300): C:/Windows/system32/cmd.exe exited; CPU time 1046.062500
08:45:55 (16300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25762391 bytes.
Dumping objects ->
{3835497} normal block at 0x00000170FE0B5440, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x00000170FE0B5360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x00000170FE0B53D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x00000170FE0B5210, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x00000170FE0B5050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x00000170FFEA82C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835409} normal block at 0x00000170FE0B0310, 8 bytes long.
 Data: <  V&#254;p   > 00 00 56 FE 70 01 00 00 
{3833969} normal block at 0x00000170FE0AFB40, 8 bytes long.
 Data: < H&#240;&#255;p   > 90 48 F0 FF 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000170FE0B1DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000170FE0A6740, 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 0x00000170FE0B6AE0, 16 bytes long.
 Data: < p &#254;p           > 08 70 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000170FE0B65E0, 16 bytes long.
 Data: <&#224;o &#254;p           > E0 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000170FE0AE500, 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 0x00000170FE0B6450, 16 bytes long.
 Data: <&#184;o &#254;p           > B8 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000170FE0B6590, 16 bytes long.
 Data: < o &#254;p           > 90 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000170FE0B5FA0, 16 bytes long.
 Data: <ho &#254;p           > 68 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000170FE0B60E0, 16 bytes long.
 Data: <@o &#254;p           > 40 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000170FE0B54B0, 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 0x00000170FE0B6B80, 16 bytes long.
 Data: <8&#188;	&#254;p           > 38 BC 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000170FE0AE440, 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 0x00000170FE0B62C0, 16 bytes long.
 Data: < &#188;	&#254;p           > 10 BC 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000170FE0B6400, 16 bytes long.
 Data: <&#232;&#187;	&#254;p           > E8 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000170FE0B64A0, 16 bytes long.
 Data: <&#192;&#187;	&#254;p           > C0 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000170FE0B6680, 16 bytes long.
 Data: < &#187;	&#254;p           > 98 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000170FE0B5E10, 16 bytes long.
 Data: <p&#187;	&#254;p           > 70 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000170FE0B6950, 16 bytes long.
 Data: <H&#187;	&#254;p           > 48 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170FE0AD8A0, 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 0x00000170FE0B6040, 16 bytes long.
 Data: < &#187;	&#254;p           > 20 BB 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000170FE09BB20, 320 bytes long.
 Data: <@` &#254;p   &#160;&#216; &#254;p   > 40 60 0B FE 70 01 00 00 A0 D8 0A FE 70 01 00 00 
{280} normal block at 0x00000170FE0B5F50, 16 bytes long.
 Data: < o &#254;p           > 20 6F 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000170FE0B5F00, 16 bytes long.
 Data: <&#248;n &#254;p           > F8 6E 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000170FE0ADD80, 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 0x00000170FE0B6090, 16 bytes long.
 Data: <&#208;n &#254;p           > D0 6E 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000170FE0AE560, 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 0x00000170FE0B6720, 16 bytes long.
 Data: < n &#254;p           > 18 6E 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000170FE0B6900, 16 bytes long.
 Data: <&#240;m &#254;p           > F0 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000170FE0B6540, 16 bytes long.
 Data: <&#200;m &#254;p           > C8 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000170FE0B63B0, 16 bytes long.
 Data: <&#160;m &#254;p           > A0 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000170FE0B68B0, 16 bytes long.
 Data: <xm &#254;p           > 78 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000170FE0B6A40, 16 bytes long.
 Data: <Pm &#254;p           > 50 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000170FE0B5D70, 16 bytes long.
 Data: <&#192;P &#254;p           > C0 50 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000170FE0B50C0, 40 bytes long.
 Data: <p] &#254;p   &#192;&#130;&#234;&#255;p   > 70 5D 0B FE 70 01 00 00 C0 82 EA FF 70 01 00 00 
{266} normal block at 0x00000170FE0B5D20, 16 bytes long.
 Data: <0m &#254;p           > 30 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000170FE0B6310, 16 bytes long.
 Data: < m &#254;p           > 08 6D 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000170FE0ADC00, 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 0x00000170FE0B64F0, 16 bytes long.
 Data: <&#224;l &#254;p           > E0 6C 0B FE 70 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000170FE0B6CE0, 992 bytes long.
 Data: <&#240;d &#254;p    &#220; &#254;p   > F0 64 0B FE 70 01 00 00 00 DC 0A FE 70 01 00 00 
{98} normal block at 0x00000170FE0AE020, 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 0x00000170FE0B0220, 16 bytes long.
 Data: <@&#200;	&#254;p           > 40 C8 09 FE 70 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000170FE09C840, 40 bytes long.
 Data: <   &#254;p    &#224; &#254;p   > 20 02 0B FE 70 01 00 00 20 E0 0A FE 70 01 00 00 
{75} normal block at 0x00000170FE0B0540, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000170FE0B09A0, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000170FE0B09F0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000170FE0B01D0, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000170FE0AFFF0, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000170FE0B0810, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000170FE0AFC80, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000170FE0AFC30, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000170FE0AFAF0, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000170FE0AFBE0, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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