Task 38689604

Name test_457-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3785_0
Workunit 31630841
Created 28 Oct 2026, 22:11:06 UTC
Sent 28 Oct 2026, 22:11:10 UTC
Report deadline 2 Nov 2026, 22:11:10 UTC
Received 28 Oct 2026, 22:31:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 19 min 38 sec
CPU time 18 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.13 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:11:59 (6448): wrapper (7.9.26016): starting
18:11:59 (6448): 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
18:12:00 (6448): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:12:00 (6448): 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
18:31:19 (6448): C:/Windows/system32/cmd.exe exited; CPU time 1112.093750
18:31:19 (6448): 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: 22659417 bytes.
Dumping objects ->
{3835255} normal block at 0x00000182B0D68640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000182B0D684F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000182B0D68950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x00000182B0D685D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000182B0D68560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000182B29EC820, 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) : {3835167} normal block at 0x00000182B0D3C110, 8 bytes long.
 Data: <   &#177;&#130;   > 00 00 19 B1 82 01 00 00 
{3833967} normal block at 0x00000182B0D3C6B0, 8 bytes long.
 Data: < -&#212;&#176;&#130;   > 00 2D D4 B0 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000182B0D0F290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000182B0D422A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000182B0D45750, 16 bytes long.
 Data: <&#184;b&#212;&#176;&#130;           > B8 62 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000182B0D45250, 16 bytes long.
 Data: < b&#212;&#176;&#130;           > 90 62 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000182B0D35D00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000182B0D456B0, 16 bytes long.
 Data: <hb&#212;&#176;&#130;           > 68 62 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000182B0D45200, 16 bytes long.
 Data: <@b&#212;&#176;&#130;           > 40 62 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000182B0D453E0, 16 bytes long.
 Data: < b&#212;&#176;&#130;           > 18 62 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000182B0D45A20, 16 bytes long.
 Data: <&#240;a&#212;&#176;&#130;           > F0 61 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000182B0D3EAD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000182B0D45D90, 16 bytes long.
 Data: < &#191;&#208;&#176;&#130;           > 98 BF D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000182B0D35BE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000182B0D45B60, 16 bytes long.
 Data: <p&#191;&#208;&#176;&#130;           > 70 BF D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000182B0D454D0, 16 bytes long.
 Data: <H&#191;&#208;&#176;&#130;           > 48 BF D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000182B0D45DE0, 16 bytes long.
 Data: < &#191;&#208;&#176;&#130;           > 20 BF D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000182B0D459D0, 16 bytes long.
 Data: <&#248;&#190;&#208;&#176;&#130;           > F8 BE D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000182B0D457A0, 16 bytes long.
 Data: <&#208;&#190;&#208;&#176;&#130;           > D0 BE D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000182B0D45700, 16 bytes long.
 Data: <&#168;&#190;&#208;&#176;&#130;           > A8 BE D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000182B0D35E80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000182B0D451B0, 16 bytes long.
 Data: < &#190;&#208;&#176;&#130;           > 80 BE D0 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000182B0D0BE80, 320 bytes long.
 Data: <&#176;Q&#212;&#176;&#130;    ^&#211;&#176;&#130;   > B0 51 D4 B0 82 01 00 00 80 5E D3 B0 82 01 00 00 
{279} normal block at 0x00000182B0D45980, 16 bytes long.
 Data: <&#208;a&#212;&#176;&#130;           > D0 61 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000182B0D45930, 16 bytes long.
 Data: <&#168;a&#212;&#176;&#130;           > A8 61 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000182B0D35AC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000182B0D45160, 16 bytes long.
 Data: < a&#212;&#176;&#130;           > 80 61 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000182B0D35A00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000182B0D45110, 16 bytes long.
 Data: <&#200;`&#212;&#176;&#130;           > C8 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000182B0D45F20, 16 bytes long.
 Data: <&#160;`&#212;&#176;&#130;           > A0 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000182B0D45340, 16 bytes long.
 Data: <x`&#212;&#176;&#130;           > 78 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000182B0D45430, 16 bytes long.
 Data: <P`&#212;&#176;&#130;           > 50 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000182B0D452F0, 16 bytes long.
 Data: <(`&#212;&#176;&#130;           > 28 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000182B0D455C0, 16 bytes long.
 Data: < `&#212;&#176;&#130;           > 00 60 D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000182B0D450C0, 16 bytes long.
 Data: <&#240;&#233;&#211;&#176;&#130;           > F0 E9 D3 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000182B0D3E9F0, 40 bytes long.
 Data: <&#192;P&#212;&#176;&#130;    &#200;&#158;&#178;&#130;   > C0 50 D4 B0 82 01 00 00 20 C8 9E B2 82 01 00 00 
{265} normal block at 0x00000182B0D45660, 16 bytes long.
 Data: <&#224;_&#212;&#176;&#130;           > E0 5F D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000182B0D45B10, 16 bytes long.
 Data: <&#184;_&#212;&#176;&#130;           > B8 5F D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000182B0D356A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000182B0D45AC0, 16 bytes long.
 Data: < _&#212;&#176;&#130;           > 90 5F D4 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000182B0D45F90, 992 bytes long.
 Data: <&#192;Z&#212;&#176;&#130;   &#160;V&#211;&#176;&#130;   > C0 5A D4 B0 82 01 00 00 A0 56 D3 B0 82 01 00 00 
{97} normal block at 0x00000182B0D35E20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000182B0D3C390, 16 bytes long.
 Data: < &#230;&#211;&#176;&#130;           > 00 E6 D3 B0 82 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000182B0D3E600, 40 bytes long.
 Data: < &#195;&#211;&#176;&#130;    ^&#211;&#176;&#130;   > 90 C3 D3 B0 82 01 00 00 20 5E D3 B0 82 01 00 00 
{74} normal block at 0x00000182B0D3C200, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000182B0D3BFD0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000182B0D3CB60, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000182B0D3CB10, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000182B0D3CA70, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000182B0D3CA20, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000182B0D3C660, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000182B0D3CD90, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000182B0D3C020, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000182B0D3CAC0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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