Task 38683026

Name test_630-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4712_0
Workunit 31624611
Created 27 Oct 2026, 10:07:14 UTC
Sent 27 Oct 2026, 10:07:21 UTC
Report deadline 1 Nov 2026, 10:07:21 UTC
Received 27 Oct 2026, 10:29:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 41 sec
CPU time 20 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.06 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:08:36 (69272): wrapper (7.9.26016): starting
05:08:36 (69272): 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
05:08:37 (69272): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:08:37 (69272): 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\32\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\32\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
05:29:11 (69272): C:/Windows/system32/cmd.exe exited; CPU time 1205.593750
05:29:11 (69272): 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: 34718067 bytes.
Dumping objects ->
{3835311} normal block at 0x000002737BDAB5A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002737BDAB290, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000002737BDAAEA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000002737BDAAD50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002737BDAAF10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002737DBBD350, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002737DC1EE70, 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 0x000002737BD7EB20, 8 bytes long.
 Data: <  ,|s   > 00 00 2C 7C 73 02 00 00 
{3834575} normal block at 0x000002737DC1F080, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002737BD7ED00, 8 bytes long.
 Data: <&#176;H&#198;}s   > B0 48 C6 7D 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002737BD76240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002737BD77230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002737BD86170, 16 bytes long.
 Data: <XX&#216;{s           > 58 58 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002737BD86030, 16 bytes long.
 Data: <0X&#216;{s           > 30 58 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002737BD80B90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002737BD85A40, 16 bytes long.
 Data: < X&#216;{s           > 08 58 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002737BD85E00, 16 bytes long.
 Data: <&#224;W&#216;{s           > E0 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002737BD86800, 16 bytes long.
 Data: <&#184;W&#216;{s           > B8 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002737BD86580, 16 bytes long.
 Data: < W&#216;{s           > 90 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002737BD83EE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002737BD868A0, 16 bytes long.
 Data: < &#163;&#215;{s           > 88 A3 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002737BD80890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002737BD863F0, 16 bytes long.
 Data: <`&#163;&#215;{s           > 60 A3 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002737BD865D0, 16 bytes long.
 Data: <8&#163;&#215;{s           > 38 A3 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002737BD861C0, 16 bytes long.
 Data: < &#163;&#215;{s           > 10 A3 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002737BD85C70, 16 bytes long.
 Data: <&#232;&#162;&#215;{s           > E8 A2 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002737BD863A0, 16 bytes long.
 Data: <&#192;&#162;&#215;{s           > C0 A2 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002737BD86850, 16 bytes long.
 Data: < &#162;&#215;{s           > 98 A2 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002737BD807D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002737BD859F0, 16 bytes long.
 Data: <p&#162;&#215;{s           > 70 A2 D7 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002737BD7A270, 320 bytes long.
 Data: <&#240;Y&#216;{s   &#208; &#216;{s   > F0 59 D8 7B 73 02 00 00 D0 07 D8 7B 73 02 00 00 
{276} normal block at 0x000002737BD859A0, 16 bytes long.
 Data: <pW&#216;{s           > 70 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002737BD86120, 16 bytes long.
 Data: <HW&#216;{s           > 48 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002737BD800B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002737BD85DB0, 16 bytes long.
 Data: < W&#216;{s           > 20 57 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002737BD801D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002737BD85F90, 16 bytes long.
 Data: <hV&#216;{s           > 68 56 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002737BD85B80, 16 bytes long.
 Data: <@V&#216;{s           > 40 56 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002737BD85EF0, 16 bytes long.
 Data: < V&#216;{s           > 18 56 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002737BD86490, 16 bytes long.
 Data: <&#240;U&#216;{s           > F0 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002737BD86440, 16 bytes long.
 Data: <&#200;U&#216;{s           > C8 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002737BD7EA80, 16 bytes long.
 Data: <&#160;U&#216;{s           > A0 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002737BD7EDF0, 16 bytes long.
 Data: <09&#216;{s           > 30 39 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002737BD83930, 40 bytes long.
 Data: <&#240;&#237;&#215;{s   P&#211;&#187;}s   > F0 ED D7 7B 73 02 00 00 50 D3 BB 7D 73 02 00 00 
{262} normal block at 0x000002737BD7EC60, 16 bytes long.
 Data: < U&#216;{s           > 80 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002737BD7E940, 16 bytes long.
 Data: <XU&#216;{s           > 58 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002737BD803B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002737BD7EC10, 16 bytes long.
 Data: <0U&#216;{s           > 30 55 D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002737BD85530, 992 bytes long.
 Data: < &#236;&#215;{s   &#176; &#216;{s   > 10 EC D7 7B 73 02 00 00 B0 03 D8 7B 73 02 00 00 
{94} normal block at 0x000002737BD80C50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002737BD7EF80, 16 bytes long.
 Data: <p>&#216;{s           > 70 3E D8 7B 73 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002737BD83E70, 40 bytes long.
 Data: < &#239;&#215;{s   P &#216;{s   > 80 EF D7 7B 73 02 00 00 50 0C D8 7B 73 02 00 00 
{71} normal block at 0x000002737BD7EF30, 16 bytes long.
 Data: < &#234;&#188;&#218;&#246;           > 80 EA BC DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002737BD7F3E0, 16 bytes long.
 Data: <@&#233;&#188;&#218;&#246;           > 40 E9 BC DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002737BD7ECB0, 16 bytes long.
 Data: <&#248;W&#185;&#218;&#246;           > F8 57 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002737BD7F070, 16 bytes long.
 Data: <&#216;W&#185;&#218;&#246;           > D8 57 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002737BD7F430, 16 bytes long.
 Data: <P &#185;&#218;&#246;           > 50 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002737BD7EA30, 16 bytes long.
 Data: <0 &#185;&#218;&#246;           > 30 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002737BD7F1B0, 16 bytes long.
 Data: <&#224; &#185;&#218;&#246;           > E0 02 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002737BD7E8F0, 16 bytes long.
 Data: <  &#185;&#218;&#246;           > 10 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002737BD7F390, 16 bytes long.
 Data: <p &#185;&#218;&#246;           > 70 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002737BD7EBC0, 16 bytes long.
 Data: < &#192;&#183;&#218;&#246;           > 18 C0 B7 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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