Task 38697286

Name test_42-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2290_0
Workunit 31637871
Created 1 Nov 2026, 12:06:09 UTC
Sent 1 Nov 2026, 12:06:12 UTC
Report deadline 6 Nov 2026, 12:06:12 UTC
Received 1 Nov 2026, 12:59:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 479449
Run time 25 min 47 sec
CPU time 23 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,331.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.72 MB
Peak swap size 8.51 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:34:04 (7144): wrapper (7.9.26016): starting
07:34:04 (7144): 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
07:34:05 (7144): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:05 (7144): 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\21\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\21\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
07:59:13 (7144): C:/Windows/system32/cmd.exe exited; CPU time 1428.437500
07:59:13 (7144): 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: 38055665 bytes.
Dumping objects ->
{3835504} normal block at 0x0000023144A2C860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835493} normal block at 0x0000023144A2C550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835482} normal block at 0x0000023144A2C4E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835471} normal block at 0x0000023144A2C010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000023144A2C2B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835429} normal block at 0x0000023144A2BCC0, 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) : {3835416} normal block at 0x00000231449FE6D0, 8 bytes long.
 Data: <   D1   > 00 00 99 44 31 02 00 00 
{3833967} normal block at 0x00000231449FE4A0, 8 bytes long.
 Data: <&#208;&#228;]F1   > D0 E4 5D 46 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023144A01E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000231449F6CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000023144A07280, 16 bytes long.
 Data: <&#168;j&#160;D1           > A8 6A A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023144A070A0, 16 bytes long.
 Data: < j&#160;D1           > 80 6A A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023144A00970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000023144A07140, 16 bytes long.
 Data: <Xj&#160;D1           > 58 6A A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023144A07230, 16 bytes long.
 Data: <0j&#160;D1           > 30 6A A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023144A07780, 16 bytes long.
 Data: < j&#160;D1           > 08 6A A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023144A07190, 16 bytes long.
 Data: <&#224;i&#160;D1           > E0 69 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023144A04DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000023144A07460, 16 bytes long.
 Data: < &#252;&#158;D1           > 88 FC 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023144A013F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000023144A078C0, 16 bytes long.
 Data: <`&#252;&#158;D1           > 60 FC 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023144A07870, 16 bytes long.
 Data: <8&#252;&#158;D1           > 38 FC 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023144A06E70, 16 bytes long.
 Data: < &#252;&#158;D1           > 10 FC 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023144A073C0, 16 bytes long.
 Data: <&#232;&#251;&#158;D1           > E8 FB 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023144A077D0, 16 bytes long.
 Data: <&#192;&#251;&#158;D1           > C0 FB 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023144A070F0, 16 bytes long.
 Data: < &#251;&#158;D1           > 98 FB 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023144A00E50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000023144A079B0, 16 bytes long.
 Data: <p&#251;&#158;D1           > 70 FB 9E 44 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000231449EFB70, 320 bytes long.
 Data: <&#176;y&#160;D1   P &#160;D1   > B0 79 A0 44 31 02 00 00 50 0E A0 44 31 02 00 00 
{279} normal block at 0x0000023144A07960, 16 bytes long.
 Data: <&#192;i&#160;D1           > C0 69 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023144A07A50, 16 bytes long.
 Data: < i&#160;D1           > 98 69 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023144A01390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000023144A07910, 16 bytes long.
 Data: <pi&#160;D1           > 70 69 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023144A01870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000023144A06E20, 16 bytes long.
 Data: <&#184;h&#160;D1           > B8 68 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023144A06FB0, 16 bytes long.
 Data: < h&#160;D1           > 90 68 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023144A075A0, 16 bytes long.
 Data: <hh&#160;D1           > 68 68 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023144A07550, 16 bytes long.
 Data: <@h&#160;D1           > 40 68 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023144A07410, 16 bytes long.
 Data: < h&#160;D1           > 18 68 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000231449FE450, 16 bytes long.
 Data: <&#240;g&#160;D1           > F0 67 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000231449FE400, 16 bytes long.
 Data: < L&#160;D1           > 00 4C A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023144A04C00, 40 bytes long.
 Data: < &#228;&#159;D1   &#192;&#188;&#162;D1   > 00 E4 9F 44 31 02 00 00 C0 BC A2 44 31 02 00 00 
{265} normal block at 0x00000231449FE270, 16 bytes long.
 Data: <&#208;g&#160;D1           > D0 67 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000231449FDFF0, 16 bytes long.
 Data: <&#168;g&#160;D1           > A8 67 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023144A00F70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000231449FDFA0, 16 bytes long.
 Data: < g&#160;D1           > 80 67 A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023144A06780, 992 bytes long.
 Data: <&#160;&#223;&#159;D1   p &#160;D1   > A0 DF 9F 44 31 02 00 00 70 0F A0 44 31 02 00 00 
{97} normal block at 0x0000023144A01030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000231449FDF50, 16 bytes long.
 Data: < K&#160;D1           > 90 4B A0 44 31 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000023144A04B90, 40 bytes long.
 Data: <P&#223;&#159;D1   0 &#160;D1   > 50 DF 9F 44 31 02 00 00 30 10 A0 44 31 02 00 00 
{74} normal block at 0x00000231449FE900, 16 bytes long.
 Data: < &#234;&#193;.&#246;           > 80 EA C1 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000231449FEEA0, 16 bytes long.
 Data: <@&#233;&#193;.&#246;           > 40 E9 C1 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000231449FE720, 16 bytes long.
 Data: <&#248;W&#190;.&#246;           > F8 57 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000231449FEAE0, 16 bytes long.
 Data: <&#216;W&#190;.&#246;           > D8 57 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000231449FE950, 16 bytes long.
 Data: <P &#190;.&#246;           > 50 04 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000231449FE8B0, 16 bytes long.
 Data: <0 &#190;.&#246;           > 30 04 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000231449FE220, 16 bytes long.
 Data: <&#224; &#190;.&#246;           > E0 02 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000231449FED10, 16 bytes long.
 Data: <  &#190;.&#246;           > 10 04 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000231449FE090, 16 bytes long.
 Data: <p &#190;.&#246;           > 70 04 BE 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000231449FE680, 16 bytes long.
 Data: < &#192;&#188;.&#246;           > 18 C0 BC 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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