Task 38688839

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7187_0
Workunit 31630148
Created 28 Oct 2026, 16:29:12 UTC
Sent 28 Oct 2026, 16:29:17 UTC
Report deadline 2 Nov 2026, 16:29:17 UTC
Received 28 Oct 2026, 19:05:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651581
Run time 2 hours 30 min 16 sec
CPU time 2 hours 15 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.32 MB
Peak swap size 5.21 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:35:41 (2968): wrapper (7.9.26016): starting
17:35:41 (2968): 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
17:35:43 (2968): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:35:43 (2968): 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
20:04:55 (2968): C:/Windows/system32/cmd.exe exited; CPU time 8128.375000
20:04:55 (2968): 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: 154698887 bytes.
Dumping objects ->
{3835364} normal block at 0x000002A938D80070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835353} normal block at 0x000002A938D7FD60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835342} normal block at 0x000002A938D7F890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835331} normal block at 0x000002A938D7FC80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x000002A936DEEAD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835289} normal block at 0x000002A938D7E910, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000002A938D38170, 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) : {3835275} normal block at 0x000002A936DB97C0, 8 bytes long.
 Data: <  "7&#169;   > 00 00 22 37 A9 02 00 00 
{3834617} normal block at 0x000002A938D37BF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002A936DB9950, 8 bytes long.
 Data: <P/&#215;8&#169;   > 50 2F D7 38 A9 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A936D7CF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A936D76D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002A936DEFAF0, 16 bytes long.
 Data: <&#184;&#238;&#222;6&#169;           > B8 EE DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A936DEFCD0, 16 bytes long.
 Data: < &#238;&#222;6&#169;           > 90 EE DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A936DB8080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002A936DEFC30, 16 bytes long.
 Data: <h&#238;&#222;6&#169;           > 68 EE DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A936DEFBE0, 16 bytes long.
 Data: <@&#238;&#222;6&#169;           > 40 EE DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A936DEFAA0, 16 bytes long.
 Data: < &#238;&#222;6&#169;           > 18 EE DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A936DEF000, 16 bytes long.
 Data: <&#240;&#237;&#222;6&#169;           > F0 ED DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A936DEE600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002A936DEF5F0, 16 bytes long.
 Data: < U&#219;6&#169;           > 88 55 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A936DB8920, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002A936DEFB40, 16 bytes long.
 Data: <`U&#219;6&#169;           > 60 55 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A936DEFF50, 16 bytes long.
 Data: <8U&#219;6&#169;           > 38 55 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A936DEF370, 16 bytes long.
 Data: < U&#219;6&#169;           > 10 55 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A936DEF140, 16 bytes long.
 Data: <&#232;T&#219;6&#169;           > E8 54 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A936DEF550, 16 bytes long.
 Data: <&#192;T&#219;6&#169;           > C0 54 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A936DEF4B0, 16 bytes long.
 Data: < T&#219;6&#169;           > 98 54 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A936DB8260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002A936DEFB90, 16 bytes long.
 Data: <pT&#219;6&#169;           > 70 54 DB 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A936DB5470, 320 bytes long.
 Data: < &#251;&#222;6&#169;   `&#130;&#219;6&#169;   > 90 FB DE 36 A9 02 00 00 60 82 DB 36 A9 02 00 00 
{274} normal block at 0x000002A936DEFEB0, 16 bytes long.
 Data: <&#208;&#237;&#222;6&#169;           > D0 ED DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A936DEF280, 16 bytes long.
 Data: <&#168;&#237;&#222;6&#169;           > A8 ED DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A936DB7F60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002A936DEF410, 16 bytes long.
 Data: < &#237;&#222;6&#169;           > 80 ED DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A936DB7EA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002A936DEF2D0, 16 bytes long.
 Data: <&#200;&#236;&#222;6&#169;           > C8 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A936DEF230, 16 bytes long.
 Data: <&#160;&#236;&#222;6&#169;           > A0 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A936DEF500, 16 bytes long.
 Data: <x&#236;&#222;6&#169;           > 78 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A936DEFC80, 16 bytes long.
 Data: <P&#236;&#222;6&#169;           > 50 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A936DEF320, 16 bytes long.
 Data: <(&#236;&#222;6&#169;           > 28 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A936DB96D0, 16 bytes long.
 Data: < &#236;&#222;6&#169;           > 00 EC DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A936DB9630, 16 bytes long.
 Data: < &#229;&#222;6&#169;           > 90 E5 DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A936DEE590, 40 bytes long.
 Data: <0&#150;&#219;6&#169;    &#233;&#215;8&#169;   > 30 96 DB 36 A9 02 00 00 10 E9 D7 38 A9 02 00 00 
{260} normal block at 0x000002A936DB95E0, 16 bytes long.
 Data: <&#224;&#235;&#222;6&#169;           > E0 EB DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A936DB9590, 16 bytes long.
 Data: <&#184;&#235;&#222;6&#169;           > B8 EB DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A936DB8380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002A936DB9450, 16 bytes long.
 Data: < &#235;&#222;6&#169;           > 90 EB DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A936DEEB90, 992 bytes long.
 Data: <P&#148;&#219;6&#169;     &#219;6&#169;   > 50 94 DB 36 A9 02 00 00 80 83 DB 36 A9 02 00 00 
{92} normal block at 0x000002A936DB7F00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002A936DB9D60, 16 bytes long.
 Data: < &#233;&#222;6&#169;           > 80 E9 DE 36 A9 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A936DEE980, 40 bytes long.
 Data: <`&#157;&#219;6&#169;     &#219;6&#169;   > 60 9D DB 36 A9 02 00 00 00 7F DB 36 A9 02 00 00 
{69} normal block at 0x000002A936DB8F00, 16 bytes long.
 Data: < &#234;&#172;n&#246;           > 80 EA AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A936DB9680, 16 bytes long.
 Data: <@&#233;&#172;n&#246;           > 40 E9 AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A936DB8EB0, 16 bytes long.
 Data: <&#248;W&#169;n&#246;           > F8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A936DB8F50, 16 bytes long.
 Data: <&#216;W&#169;n&#246;           > D8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A936DB9860, 16 bytes long.
 Data: <P &#169;n&#246;           > 50 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A936DB9900, 16 bytes long.
 Data: <0 &#169;n&#246;           > 30 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A936DB9770, 16 bytes long.
 Data: <&#224; &#169;n&#246;           > E0 02 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A936DB9400, 16 bytes long.
 Data: <  &#169;n&#246;           > 10 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A936DB9720, 16 bytes long.
 Data: <p &#169;n&#246;           > 70 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A936DB9D10, 16 bytes long.
 Data: < &#192;&#167;n&#246;           > 18 C0 A7 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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