Task 38682774

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8883_0
Workunit 31624369
Created 27 Oct 2026, 9:03:32 UTC
Sent 27 Oct 2026, 9:03:37 UTC
Report deadline 1 Nov 2026, 9:03:37 UTC
Received 28 Oct 2026, 4:39:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 30 min 43 sec
CPU time 28 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.09 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:05:21 (21024): wrapper (7.9.26016): starting
18:05:21 (21024): 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
18:05:22 (21024): Library/usr/bin/tar.exe exited; CPU time 0.093750
18:05:22 (21024): 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 'E:\BoincData\slots\12\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 'E:\BoincData\slots\12\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835310} normal block at 0x0000028AFF11F320, 8 bytes long.
 Data: <  d     > 00 00 64 FF 8A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3834076} normal block at 0x0000028AFF10E590, 1080 bytes long.
 Data: <                > 8C 87 00 00 CD CD CD CD 88 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000028AFF120420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:22:20 (28392): wrapper (7.9.26016): starting
13:22:20 (28392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; E:\BoincData\slots\12\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
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: Exiting with failure status due to previous errors
13:38:42 (28392): C:/Windows/system32/cmd.exe exited; CPU time 854.234375
13:38:42 (28392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 20321323 bytes.
Dumping objects ->
{1633} normal block at 0x000002A3556668C0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{1622} normal block at 0x000002A355661650, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{1611} normal block at 0x000002A355661710, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{1600} normal block at 0x000002A355661530, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{1589} normal block at 0x000002A355660F30, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{1558} normal block at 0x000002A355666850, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{1547} normal block at 0x000002A35564C3C0, 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) : {1544} normal block at 0x000002A355667C40, 8 bytes long.
 Data: <   U    > 00 00 B9 55 A3 02 00 00 
{922} normal block at 0x000002A35564E100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{311} normal block at 0x000002A355667BF0, 8 bytes long.
 Data: <  fU    > 00 83 66 55 A3 02 00 00 
{302} normal block at 0x000002A355657780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002A355667E70, 16 bytes long.
 Data: <  fU            > 08 82 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002A3556678D0, 16 bytes long.
 Data: <  fU            > E0 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A355661350, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002A355666F20, 16 bytes long.
 Data: <  fU            > B8 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A355666F70, 16 bytes long.
 Data: <  fU            > 90 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A3556679C0, 16 bytes long.
 Data: <h fU            > 68 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A355667E20, 16 bytes long.
 Data: <@ fU            > 40 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A3556665B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002A355667C90, 16 bytes long.
 Data: <X dU            > 58 C3 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A3556615F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002A355667150, 16 bytes long.
 Data: <0 dU            > 30 C3 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A3556677E0, 16 bytes long.
 Data: <  dU            > 08 C3 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A355667470, 16 bytes long.
 Data: <  dU            > E0 C2 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A355667100, 16 bytes long.
 Data: <  dU            > B8 C2 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A355667DD0, 16 bytes long.
 Data: <  dU            > 90 C2 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A355667BA0, 16 bytes long.
 Data: <h dU            > 68 C2 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A355661950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002A3556676F0, 16 bytes long.
 Data: <@ dU            > 40 C2 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A35564C240, 320 bytes long.
 Data: < vfU    P fU    > F0 76 66 55 A3 02 00 00 50 19 66 55 A3 02 00 00 
{281} normal block at 0x000002A355667560, 16 bytes long.
 Data: <  fU            > 20 81 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A355667510, 16 bytes long.
 Data: <  fU            > F8 80 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A355661C50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002A355667CE0, 16 bytes long.
 Data: <  fU            > D0 80 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A355661590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002A355667AB0, 16 bytes long.
 Data: <  fU            > 18 80 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A355667B50, 16 bytes long.
 Data: <  fU            > F0 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A3556670B0, 16 bytes long.
 Data: <  fU            > C8 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A355667010, 16 bytes long.
 Data: <  fU            > A0 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A3556674C0, 16 bytes long.
 Data: <x fU            > 78 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A355666FC0, 16 bytes long.
 Data: <P fU            > 50 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A355667060, 16 bytes long.
 Data: < gfU            > E0 67 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A3556667E0, 40 bytes long.
 Data: <`pfU    PhfU    > 60 70 66 55 A3 02 00 00 50 68 66 55 A3 02 00 00 
{267} normal block at 0x000002A355667330, 16 bytes long.
 Data: <0 fU            > 30 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A3556672E0, 16 bytes long.
 Data: <  fU            > 08 7F 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A355661A70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002A355667790, 16 bytes long.
 Data: < ~fU            > E0 7E 66 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A355667EE0, 992 bytes long.
 Data: < wfU    p fU    > 90 77 66 55 A3 02 00 00 70 1A 66 55 A3 02 00 00 
{99} normal block at 0x000002A355661470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002A35565E860, 16 bytes long.
 Data: <  dU            > 80 9B 64 55 A3 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002A355649B80, 40 bytes long.
 Data: <` eU    p fU    > 60 E8 65 55 A3 02 00 00 70 14 66 55 A3 02 00 00 
{74} normal block at 0x000002A35565EF40, 16 bytes long.
 Data: <                > 80 EA B9 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002A35565E770, 16 bytes long.
 Data: <@               > 40 E9 B9 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A35565EAE0, 16 bytes long.
 Data: < W              > F8 57 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A35565E7C0, 16 bytes long.
 Data: < W              > D8 57 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A35565F0D0, 16 bytes long.
 Data: <P               > 50 04 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A35565E680, 16 bytes long.
 Data: <0               > 30 04 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A35565EBD0, 16 bytes long.
 Data: <                > E0 02 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A35565EB80, 16 bytes long.
 Data: <                > 10 04 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A35565E4A0, 16 bytes long.
 Data: <p               > 70 04 B6 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A35565E400, 16 bytes long.
 Data: <                > 18 C0 B4 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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