Task 38687788

Name test_174-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7413_0
Workunit 31629166
Created 28 Oct 2026, 9:46:30 UTC
Sent 28 Oct 2026, 9:46:34 UTC
Report deadline 2 Nov 2026, 9:46:34 UTC
Received 28 Oct 2026, 11:35:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 49 min 54 sec
CPU time 48 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.06 MB
Peak swap size 3.76 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:44:41 (20116): wrapper (7.9.26016): starting
11:44:41 (20116): 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
11:44:43 (20116): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:44:43 (20116): 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
12:34:27 (20116): C:/Windows/system32/cmd.exe exited; CPU time 2914.843750
12:34:27 (20116): 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: 41596267 bytes.
Dumping objects ->
{3835361} normal block at 0x0000014022F012C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000014022F00D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x0000014022F00F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x0000014022F01250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000014022F01640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x0000014023054340, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000140215EDD40, 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) : {3835272} normal block at 0x0000014021588B60, 8 bytes long.
 Data: <  &#241;"@   > 00 00 F1 22 40 01 00 00 
{3834603} normal block at 0x00000140215EE220, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000014021587FD0, 8 bytes long.
 Data: <`5 #@   > 60 35 0B 23 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000014021593CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001402157E550, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000014021595A30, 16 bytes long.
 Data: < _Y!@           > 08 5F 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000140215954E0, 16 bytes long.
 Data: <&#224;^Y!@           > E0 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001402158C950, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000014021594E50, 16 bytes long.
 Data: <&#184;^Y!@           > B8 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014021594E00, 16 bytes long.
 Data: < ^Y!@           > 90 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000140215958A0, 16 bytes long.
 Data: <h^Y!@           > 68 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014021595760, 16 bytes long.
 Data: <@^Y!@           > 40 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001402158E6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000014021595490, 16 bytes long.
 Data: < &#222;X!@           > 08 DE 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001402158D2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000014021594DB0, 16 bytes long.
 Data: <&#224;&#221;X!@           > E0 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014021595440, 16 bytes long.
 Data: <&#184;&#221;X!@           > B8 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014021594C70, 16 bytes long.
 Data: < &#221;X!@           > 90 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014021595850, 16 bytes long.
 Data: <h&#221;X!@           > 68 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014021595710, 16 bytes long.
 Data: <@&#221;X!@           > 40 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000140215953A0, 16 bytes long.
 Data: < &#221;X!@           > 18 DD 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001402158CB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000140215953F0, 16 bytes long.
 Data: <&#240;&#220;X!@           > F0 DC 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001402158DCF0, 320 bytes long.
 Data: <&#240;SY!@    &#203;X!@   > F0 53 59 21 40 01 00 00 90 CB 58 21 40 01 00 00 
{271} normal block at 0x0000014021595350, 16 bytes long.
 Data: < ^Y!@           > 20 5E 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014021594F40, 16 bytes long.
 Data: <&#248;]Y!@           > F8 5D 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001402158C7D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000014021594EF0, 16 bytes long.
 Data: <&#208;]Y!@           > D0 5D 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001402158D250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000014021595620, 16 bytes long.
 Data: < ]Y!@           > 18 5D 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014021595800, 16 bytes long.
 Data: <&#240;\Y!@           > F0 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014021595990, 16 bytes long.
 Data: <&#200;\Y!@           > C8 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014021595210, 16 bytes long.
 Data: <&#160;\Y!@           > A0 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014021594C20, 16 bytes long.
 Data: <x\Y!@           > 78 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014021594FE0, 16 bytes long.
 Data: <P\Y!@           > 50 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000140215958F0, 16 bytes long.
 Data: <&#160;&#229;X!@           > A0 E5 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001402158E5A0, 40 bytes long.
 Data: <&#240;XY!@   @C #@   > F0 58 59 21 40 01 00 00 40 43 05 23 40 01 00 00 
{257} normal block at 0x0000014021595300, 16 bytes long.
 Data: <0\Y!@           > 30 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014021595120, 16 bytes long.
 Data: < \Y!@           > 08 5C 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001402158CD10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000140215955D0, 16 bytes long.
 Data: <&#224;[Y!@           > E0 5B 59 21 40 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000014021595BE0, 992 bytes long.
 Data: <&#208;UY!@    &#205;X!@   > D0 55 59 21 40 01 00 00 10 CD 58 21 40 01 00 00 
{89} normal block at 0x000001402158D610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000014021588200, 16 bytes long.
 Data: <&#176;&#232;X!@           > B0 E8 58 21 40 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001402158E8B0, 40 bytes long.
 Data: < &#130;X!@    &#214;X!@   > 00 82 58 21 40 01 00 00 10 D6 58 21 40 01 00 00 
{66} normal block at 0x0000014021588610, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014021588110, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014021588A70, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014021588020, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014021587F30, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014021588700, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000140215889D0, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014021587F80, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014021588E80, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014021588070, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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