Task 38689718

Name test_629-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4532_0
Workunit 31630951
Created 28 Oct 2026, 23:02:36 UTC
Sent 28 Oct 2026, 23:02:42 UTC
Report deadline 2 Nov 2026, 23:02:42 UTC
Received 28 Oct 2026, 23:52:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 28 sec
CPU time 17 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.98 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:31:59 (3156): wrapper (7.9.26016): starting
00:31:59 (3156): 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
00:32:00 (3156): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:32:00 (3156): 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:\BOINC\data\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 'E:\BOINC\data\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
00:50:15 (3156): C:/Windows/system32/cmd.exe exited; CPU time 1069.843750
00:50:15 (3156): 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: 26288625 bytes.
Dumping objects ->
{3835311} normal block at 0x000001A716873C80, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x000001A716837B40, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x000001A716837D80, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x000001A716837CC0, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x000001A716837EA0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x000001A716873C10, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x000001A7167FF0E0, 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) : {3835222} normal block at 0x000001A714A8F100, 8 bytes long.
 Data: <  &#247; &#167;   > 00 00 F7 14 A7 01 00 00 
{3834590} normal block at 0x000001A7167FF9D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x000001A714A8EAC0, 8 bytes long.
 Data: <  &#174; &#167;   > 20 1A AE 14 A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001A714A87470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001A714A7F8F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001A714A96C90, 16 bytes long.
 Data: <&#168;r&#169; &#167;           > A8 72 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001A714A96D30, 16 bytes long.
 Data: < r&#169; &#167;           > 80 72 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001A714A90950, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001A714A966A0, 16 bytes long.
 Data: <Xr&#169; &#167;           > 58 72 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A714A96380, 16 bytes long.
 Data: <0r&#169; &#167;           > 30 72 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A714A96880, 16 bytes long.
 Data: < r&#169; &#167;           > 08 72 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A714A96650, 16 bytes long.
 Data: <&#224;q&#169; &#167;           > E0 71 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A714A947D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001A714A962E0, 16 bytes long.
 Data: <X &#168; &#167;           > 58 15 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A714A90890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001A714A96C40, 16 bytes long.
 Data: <0 &#168; &#167;           > 30 15 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A714A969C0, 16 bytes long.
 Data: <  &#168; &#167;           > 08 15 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A714A96AB0, 16 bytes long.
 Data: <&#224; &#168; &#167;           > E0 14 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A714A96DD0, 16 bytes long.
 Data: <&#184; &#168; &#167;           > B8 14 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A714A95FC0, 16 bytes long.
 Data: <  &#168; &#167;           > 90 14 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A714A96600, 16 bytes long.
 Data: <h &#168; &#167;           > 68 14 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A714A91130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001A714A96060, 16 bytes long.
 Data: <@ &#168; &#167;           > 40 14 A8 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A714A81440, 320 bytes long.
 Data: <``&#169; &#167;   0 &#169; &#167;   > 60 60 A9 14 A7 01 00 00 30 11 A9 14 A7 01 00 00 
{284} normal block at 0x000001A714A961F0, 16 bytes long.
 Data: <&#192;q&#169; &#167;           > C0 71 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A714A968D0, 16 bytes long.
 Data: < q&#169; &#167;           > 98 71 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A714A91670, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001A714A96830, 16 bytes long.
 Data: <pq&#169; &#167;           > 70 71 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A714A90E90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001A714A96970, 16 bytes long.
 Data: <&#184;p&#169; &#167;           > B8 70 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A714A96470, 16 bytes long.
 Data: < p&#169; &#167;           > 90 70 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A714A965B0, 16 bytes long.
 Data: <hp&#169; &#167;           > 68 70 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A714A96B50, 16 bytes long.
 Data: <@p&#169; &#167;           > 40 70 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A714A96420, 16 bytes long.
 Data: < p&#169; &#167;           > 18 70 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A714A96EC0, 16 bytes long.
 Data: <&#240;o&#169; &#167;           > F0 6F A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A714A96E70, 16 bytes long.
 Data: <pC&#169; &#167;           > 70 43 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A714A94370, 40 bytes long.
 Data: <pn&#169; &#167;    <&#135; &#167;   > 70 6E A9 14 A7 01 00 00 10 3C 87 16 A7 01 00 00 
{270} normal block at 0x000001A714A960B0, 16 bytes long.
 Data: <&#208;o&#169; &#167;           > D0 6F A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A714A96560, 16 bytes long.
 Data: <&#168;o&#169; &#167;           > A8 6F A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A714A910D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001A714A96F10, 16 bytes long.
 Data: < o&#169; &#167;           > 80 6F A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A714A96F80, 992 bytes long.
 Data: < o&#169; &#167;   &#208; &#169; &#167;   > 10 6F A9 14 A7 01 00 00 D0 10 A9 14 A7 01 00 00 
{102} normal block at 0x000001A714A90E30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001A714A8EA70, 16 bytes long.
 Data: < C&#169; &#167;           > 00 43 A9 14 A7 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001A714A94300, 40 bytes long.
 Data: <p&#234;&#168; &#167;   0 &#169; &#167;   > 70 EA A8 14 A7 01 00 00 30 0E A9 14 A7 01 00 00 
{79} normal block at 0x000001A714A8E700, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001A714A8E7F0, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001A714A8F650, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001A714A8F150, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001A714A8F510, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A714A8ED40, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A714A8F560, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A714A8F0B0, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A714A8EC50, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A714A8E840, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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