Task 38685047

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7593_0
Workunit 31626535
Created 27 Oct 2026, 19:07:48 UTC
Sent 27 Oct 2026, 19:07:52 UTC
Report deadline 1 Nov 2026, 19:07:52 UTC
Received 27 Oct 2026, 19:53:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520656
Run time 42 min 41 sec
CPU time 36 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,454.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.45 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:09:33 (6500): wrapper (7.9.26016): starting
15:09:33 (6500): 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
15:09:34 (6500): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:09:34 (6500): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:52:56 (6500): C:/Windows/system32/cmd.exe exited; CPU time 2203.578125
15:52:56 (6500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 38281957 bytes.
Dumping objects ->
{3835258} normal block at 0x000001BCCC24DB90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001BCCC24DD50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001BCCC24DFF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001BCCA615020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001BCCA614F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001BCCC29B400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x000001BCCA610500, 8 bytes long.
 Data: <  \&#202;&#188;   > 00 00 5C CA BC 01 00 00 
{3833961} normal block at 0x000001BCCA610820, 8 bytes long.
 Data: <&#192;&#226;*&#204;&#188;   > C0 E2 2A CC BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BCCA60D640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BCCA606630, 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 0x000001BCCA616940, 16 bytes long.
 Data: <h\a&#202;&#188;           > 68 5C 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCCA616B20, 16 bytes long.
 Data: <@\a&#202;&#188;           > 40 5C 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BCCA60F890, 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 0x000001BCCA616800, 16 bytes long.
 Data: < \a&#202;&#188;           > 18 5C 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCCA6165D0, 16 bytes long.
 Data: <&#240;[a&#202;&#188;           > F0 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BCCA6166C0, 16 bytes long.
 Data: <&#200;[a&#202;&#188;           > C8 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BCCA616580, 16 bytes long.
 Data: <&#160;[a&#202;&#188;           > A0 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCCA6151E0, 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 0x000001BCCA616080, 16 bytes long.
 Data: <&#200;&#184;_&#202;&#188;           > C8 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCCA60F1D0, 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 0x000001BCCA6161C0, 16 bytes long.
 Data: <&#160;&#184;_&#202;&#188;           > A0 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BCCA616C10, 16 bytes long.
 Data: <x&#184;_&#202;&#188;           > 78 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BCCA616170, 16 bytes long.
 Data: <P&#184;_&#202;&#188;           > 50 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCCA616120, 16 bytes long.
 Data: <(&#184;_&#202;&#188;           > 28 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BCCA616B70, 16 bytes long.
 Data: < &#184;_&#202;&#188;           > 00 B8 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCCA616350, 16 bytes long.
 Data: <&#216;&#183;_&#202;&#188;           > D8 B7 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCCA60F6B0, 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 0x000001BCCA616CB0, 16 bytes long.
 Data: <&#176;&#183;_&#202;&#188;           > B0 B7 5F CA BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCCA5FB7B0, 320 bytes long.
 Data: <&#176;la&#202;&#188;   &#176;&#246;`&#202;&#188;   > B0 6C 61 CA BC 01 00 00 B0 F6 60 CA BC 01 00 00 
{276} normal block at 0x000001BCCA616A80, 16 bytes long.
 Data: < [a&#202;&#188;           > 80 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCCA616260, 16 bytes long.
 Data: <X[a&#202;&#188;           > 58 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BCCA60F3B0, 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 0x000001BCCA616210, 16 bytes long.
 Data: <0[a&#202;&#188;           > 30 5B 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCCA60FCB0, 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 0x000001BCCA6163F0, 16 bytes long.
 Data: <xZa&#202;&#188;           > 78 5A 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BCCA616670, 16 bytes long.
 Data: <PZa&#202;&#188;           > 50 5A 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BCCA6160D0, 16 bytes long.
 Data: <(Za&#202;&#188;           > 28 5A 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCCA616AD0, 16 bytes long.
 Data: < Za&#202;&#188;           > 00 5A 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BCCA616620, 16 bytes long.
 Data: <&#216;Ya&#202;&#188;           > D8 59 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCCA6105F0, 16 bytes long.
 Data: <&#176;Ya&#202;&#188;           > B0 59 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BCCA6107D0, 16 bytes long.
 Data: <PRa&#202;&#188;           > 50 52 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BCCA615250, 40 bytes long.
 Data: <&#208; a&#202;&#188;    &#180;)&#204;&#188;   > D0 07 61 CA BC 01 00 00 00 B4 29 CC BC 01 00 00 
{262} normal block at 0x000001BCCA610140, 16 bytes long.
 Data: < Ya&#202;&#188;           > 90 59 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BCCA610050, 16 bytes long.
 Data: <hYa&#202;&#188;           > 68 59 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BCCA60F770, 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 0x000001BCCA610320, 16 bytes long.
 Data: <@Ya&#202;&#188;           > 40 59 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BCCA615940, 992 bytes long.
 Data: <  a&#202;&#188;   p&#247;`&#202;&#188;   > 20 03 61 CA BC 01 00 00 70 F7 60 CA BC 01 00 00 
{94} normal block at 0x000001BCCA60F350, 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 0x000001BCCA610D20, 16 bytes long.
 Data: < Ma&#202;&#188;           > 80 4D 61 CA BC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BCCA614D80, 40 bytes long.
 Data: <  a&#202;&#188;   P&#243;`&#202;&#188;   > 20 0D 61 CA BC 01 00 00 50 F3 60 CA BC 01 00 00 
{71} normal block at 0x000001BCCA610B90, 16 bytes long.
 Data: < &#234;&#239;N&#246;           > 80 EA EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BCCA610190, 16 bytes long.
 Data: <@&#233;&#239;N&#246;           > 40 E9 EF 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BCCA610C30, 16 bytes long.
 Data: <&#248;W&#236;N&#246;           > F8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCCA6104B0, 16 bytes long.
 Data: <&#216;W&#236;N&#246;           > D8 57 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCCA610550, 16 bytes long.
 Data: <P &#236;N&#246;           > 50 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BCCA610CD0, 16 bytes long.
 Data: <0 &#236;N&#246;           > 30 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BCCA610A00, 16 bytes long.
 Data: <&#224; &#236;N&#246;           > E0 02 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BCCA610D70, 16 bytes long.
 Data: <  &#236;N&#246;           > 10 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BCCA610AF0, 16 bytes long.
 Data: <p &#236;N&#246;           > 70 04 EC 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BCCA6100F0, 16 bytes long.
 Data: < &#192;&#234;N&#246;           > 18 C0 EA 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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