Task 38683629

Name test_973-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5087_0
Workunit 31625180
Created 27 Oct 2026, 12:37:32 UTC
Sent 27 Oct 2026, 12:37:43 UTC
Report deadline 1 Nov 2026, 12:37:43 UTC
Received 27 Oct 2026, 13:11:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 18 min 28 sec
CPU time 16 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.95 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:53:12 (16972): wrapper (7.9.26016): starting
05:53:12 (16972): 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
05:53:13 (16972): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:53:13 (16972): 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\16\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\16\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: Exiting with failure status due to previous errors
06:10:52 (16972): C:/Windows/system32/cmd.exe exited; CPU time 1018.578125
06:10:52 (16972): 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: 24721347 bytes.
Dumping objects ->
{3835512} normal block at 0x000001C837814E20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001C837814DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001C8378154B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001C8378153D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001C837815360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001C839617930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001C83962F310, 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) : {3835423} normal block at 0x000001C83780F1B0, 8 bytes long.
 Data: <  ~7&#200;   > 00 00 7E 37 C8 01 00 00 
{3834678} normal block at 0x000001C83962F050, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001C83780F750, 8 bytes long.
 Data: <&#160;&#218; 7&#200;   > A0 DA 7F 37 C8 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C83780DF10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C837806320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C837816780, 16 bytes long.
 Data: <&#168;l 7&#200;           > A8 6C 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C837815F10, 16 bytes long.
 Data: < l 7&#200;           > 80 6C 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C83780FF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C837815A60, 16 bytes long.
 Data: <Xl 7&#200;           > 58 6C 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C837816280, 16 bytes long.
 Data: <0l 7&#200;           > 30 6C 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C837815DD0, 16 bytes long.
 Data: < l 7&#200;           > 08 6C 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C8378160A0, 16 bytes long.
 Data: <&#224;k 7&#200;           > E0 6B 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C837815440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C837815BF0, 16 bytes long.
 Data: <&#248;&#245; 7&#200;           > F8 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C837810390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C837815A10, 16 bytes long.
 Data: <&#208;&#245; 7&#200;           > D0 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C837816910, 16 bytes long.
 Data: <&#168;&#245; 7&#200;           > A8 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C837816870, 16 bytes long.
 Data: < &#245; 7&#200;           > 80 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C8378164B0, 16 bytes long.
 Data: <X&#245; 7&#200;           > 58 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C837816690, 16 bytes long.
 Data: <0&#245; 7&#200;           > 30 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C837815CE0, 16 bytes long.
 Data: < &#245; 7&#200;           > 08 F5 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C837810B10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C8378165A0, 16 bytes long.
 Data: <&#224;&#244; 7&#200;           > E0 F4 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C8377FF4E0, 320 bytes long.
 Data: <&#160;e 7&#200;      7&#200;   > A0 65 81 37 C8 01 00 00 10 0B 81 37 C8 01 00 00 
{275} normal block at 0x000001C837815EC0, 16 bytes long.
 Data: <&#192;k 7&#200;           > C0 6B 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C837815E70, 16 bytes long.
 Data: < k 7&#200;           > 98 6B 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C83780FFD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C837816460, 16 bytes long.
 Data: <pk 7&#200;           > 70 6B 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C83780FF10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C837816230, 16 bytes long.
 Data: <&#184;j 7&#200;           > B8 6A 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C837816050, 16 bytes long.
 Data: < j 7&#200;           > 90 6A 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C8378168C0, 16 bytes long.
 Data: <hj 7&#200;           > 68 6A 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C837816820, 16 bytes long.
 Data: <@j 7&#200;           > 40 6A 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C837815B50, 16 bytes long.
 Data: < j 7&#200;           > 18 6A 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C8378167D0, 16 bytes long.
 Data: <&#240;i 7&#200;           > F0 69 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C837816730, 16 bytes long.
 Data: < O 7&#200;           > 00 4F 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C837814F00, 40 bytes long.
 Data: <0g 7&#200;   0ya9&#200;   > 30 67 81 37 C8 01 00 00 30 79 61 39 C8 01 00 00 
{261} normal block at 0x000001C837815C90, 16 bytes long.
 Data: <&#208;i 7&#200;           > D0 69 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C837815D80, 16 bytes long.
 Data: <&#168;i 7&#200;           > A8 69 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C837810CF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C837815E20, 16 bytes long.
 Data: < i 7&#200;           > 80 69 81 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C837816980, 992 bytes long.
 Data: < ^ 7&#200;   &#240;  7&#200;   > 20 5E 81 37 C8 01 00 00 F0 0C 81 37 C8 01 00 00 
{93} normal block at 0x000001C837810A50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C83780F700, 16 bytes long.
 Data: < &#232; 7&#200;           > 90 E8 7F 37 C8 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C8377FE890, 40 bytes long.
 Data: < &#247; 7&#200;   P  7&#200;   > 00 F7 80 37 C8 01 00 00 50 0A 81 37 C8 01 00 00 
{70} normal block at 0x000001C83780F160, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C83780F070, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C83780F6B0, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C83780F5C0, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C83780F520, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C83780EE40, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C83780FAC0, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C83780F980, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C83780F110, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C83780FA70, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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