Task 38689608

Name test_543-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1458_0
Workunit 31630845
Created 28 Oct 2026, 22:15:26 UTC
Sent 28 Oct 2026, 22:15:32 UTC
Report deadline 2 Nov 2026, 22:15:32 UTC
Received 28 Oct 2026, 23:13:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 13 sec
CPU time 17 min 43 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 701.57 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>
23:53:15 (31396): wrapper (7.9.26016): starting
23:53:15 (31396): 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
23:53:16 (31396): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:53:16 (31396): 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
00:11:20 (31396): C:/Windows/system32/cmd.exe exited; CPU time 1063.421875
00:11:20 (31396): 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: 25873693 bytes.
Dumping objects ->
{3835311} normal block at 0x0000023BBF1B4FD0, 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 0x0000023BBF177E90, 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 0x0000023BBF177FB0, 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 0x0000023BBF178070, 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 0x0000023BBF177A70, 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 0x0000023BBF1B5660, 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 0x0000023BBF13F5D0, 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 0x0000023BBD43F5F0, 8 bytes long.
 Data: <  A ;   > 00 00 41 BD 3B 02 00 00 
{3834590} normal block at 0x0000023BBF13F890, 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 0x0000023BBD43F5A0, 8 bytes long.
 Data: < D &#191;;   > 20 44 18 BF 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000023BBD436B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000023BBD437BB0, 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 0x0000023BBD446870, 16 bytes long.
 Data: < uD ;           > 18 75 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000023BBD446730, 16 bytes long.
 Data: <&#240;tD ;           > F0 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023BBD441820, 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 0x0000023BBD446370, 16 bytes long.
 Data: <&#200;tD ;           > C8 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023BBD4470E0, 16 bytes long.
 Data: <&#160;tD ;           > A0 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023BBD4466E0, 16 bytes long.
 Data: <xtD ;           > 78 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023BBD446690, 16 bytes long.
 Data: <PtD ;           > 50 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023BBD444AB0, 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 0x0000023BBD446280, 16 bytes long.
 Data: <&#232; C ;           > E8 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023BBD441760, 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 0x0000023BBD4468C0, 16 bytes long.
 Data: <&#192; C ;           > C0 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023BBD446E10, 16 bytes long.
 Data: <  C ;           > 98 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023BBD446E60, 16 bytes long.
 Data: <p C ;           > 70 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023BBD4464B0, 16 bytes long.
 Data: <H C ;           > 48 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023BBD446500, 16 bytes long.
 Data: <  C ;           > 20 06 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BBD4469B0, 16 bytes long.
 Data: <&#248; C ;           > F8 05 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023BBD441040, 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 0x0000023BBD446A00, 16 bytes long.
 Data: <&#208; C ;           > D0 05 43 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BBD4305D0, 320 bytes long.
 Data: < jD ;   @ D ;   > 00 6A 44 BD 3B 02 00 00 40 10 44 BD 3B 02 00 00 
{284} normal block at 0x0000023BBD447040, 16 bytes long.
 Data: <0tD ;           > 30 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023BBD447180, 16 bytes long.
 Data: < tD ;           > 08 74 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BBD441340, 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 0x0000023BBD446BE0, 16 bytes long.
 Data: <&#224;sD ;           > E0 73 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BBD4414C0, 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 0x0000023BBD446FF0, 16 bytes long.
 Data: <(sD ;           > 28 73 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023BBD446AF0, 16 bytes long.
 Data: < sD ;           > 00 73 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023BBD447090, 16 bytes long.
 Data: <&#216;rD ;           > D8 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023BBD446D20, 16 bytes long.
 Data: <&#176;rD ;           > B0 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BBD446EB0, 16 bytes long.
 Data: < rD ;           > 88 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023BBD446CD0, 16 bytes long.
 Data: <`rD ;           > 60 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023BBD446A50, 16 bytes long.
 Data: <&#240;HD ;           > F0 48 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BBD4448F0, 40 bytes long.
 Data: <PjD ;   `V &#191;;   > 50 6A 44 BD 3B 02 00 00 60 56 1B BF 3B 02 00 00 
{270} normal block at 0x0000023BBD446C30, 16 bytes long.
 Data: <@rD ;           > 40 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023BBD446AA0, 16 bytes long.
 Data: < rD ;           > 18 72 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BBD440F20, 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 0x0000023BBD446D70, 16 bytes long.
 Data: <&#240;qD ;           > F0 71 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023BBD4471F0, 992 bytes long.
 Data: <pmD ;     D ;   > 70 6D 44 BD 3B 02 00 00 20 0F 44 BD 3B 02 00 00 
{102} normal block at 0x0000023BBD441640, 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 0x0000023BBD43EDD0, 16 bytes long.
 Data: < HD ;           > 80 48 44 BD 3B 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000023BBD444880, 40 bytes long.
 Data: <&#208;&#237;C ;   @ D ;   > D0 ED 43 BD 3B 02 00 00 40 16 44 BD 3B 02 00 00 
{79} normal block at 0x0000023BBD43F320, 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 0x0000023BBD43ECE0, 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 0x0000023BBD43EEC0, 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 0x0000023BBD43F500, 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 0x0000023BBD43EE70, 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 0x0000023BBD43F230, 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 0x0000023BBD43F4B0, 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 0x0000023BBD43F2D0, 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 0x0000023BBD43F460, 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 0x0000023BBD43F410, 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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