Task 38696737

Name test_937-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8160_0
Workunit 31637355
Created 1 Nov 2026, 4:05:12 UTC
Sent 1 Nov 2026, 4:05:16 UTC
Report deadline 6 Nov 2026, 4:05:16 UTC
Received 1 Nov 2026, 4:57:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637713
Run time 50 min 49 sec
CPU time 48 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.28 MB
Peak swap size 11.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:06:25 (50636): wrapper (7.9.26016): starting
04:06:25 (50636): 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
04:06:26 (50636): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:06:26 (50636): 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\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 'C:\ProgramData\BOINC\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
04:56:23 (50636): C:/Windows/system32/cmd.exe exited; CPU time 2893.031250
04:56:23 (50636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 75597413 bytes.
Dumping objects ->
{3835571} normal block at 0x0000020B3F40E3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x0000020B3F40DA50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x0000020B3F40D900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835538} normal block at 0x0000020B3D795540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x0000020B3D795380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835496} normal block at 0x0000020B3F457300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x0000020B3D7EBC90, 140 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) : {3835482} normal block at 0x0000020B3D78E660, 8 bytes long.
 Data: <  t=    > 00 00 74 3D 0B 02 00 00 
{3834700} normal block at 0x0000020B3D7EC3E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000020B3D78E610, 8 bytes long.
 Data: <&#176;&#221;w=    > B0 DD 77 3D 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020B3D792700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020B3D786D70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000020B3D796BC0, 16 bytes long.
 Data: <(ty=            > 28 74 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020B3D7962B0, 16 bytes long.
 Data: < ty=            > 00 74 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B3D790790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000020B3D796120, 16 bytes long.
 Data: <&#216;sy=            > D8 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B3D7964E0, 16 bytes long.
 Data: <&#176;sy=            > B0 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B3D7968A0, 16 bytes long.
 Data: < sy=            > 88 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B3D796350, 16 bytes long.
 Data: <`sy=            > 60 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B3D795690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000020B3D796800, 16 bytes long.
 Data: < &#249;w=            > 08 F9 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B3D7901F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000020B3D795F90, 16 bytes long.
 Data: <&#224;&#248;w=            > E0 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B3D7967B0, 16 bytes long.
 Data: <&#184;&#248;w=            > B8 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B3D796760, 16 bytes long.
 Data: < &#248;w=            > 90 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B3D796440, 16 bytes long.
 Data: <h&#248;w=            > 68 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B3D796EE0, 16 bytes long.
 Data: <@&#248;w=            > 40 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B3D796300, 16 bytes long.
 Data: < &#248;w=            > 18 F8 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B3D790190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000020B3D796210, 16 bytes long.
 Data: <&#240;&#247;w=            > F0 F7 77 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B3D77F7F0, 320 bytes long.
 Data: < by=      y=    > 10 62 79 3D 0B 02 00 00 90 01 79 3D 0B 02 00 00 
{278} normal block at 0x0000020B3D796A30, 16 bytes long.
 Data: <@sy=            > 40 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B3D796B70, 16 bytes long.
 Data: < sy=            > 18 73 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B3D78FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000020B3D796D50, 16 bytes long.
 Data: <&#240;ry=            > F0 72 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B3D790730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000020B3D7969E0, 16 bytes long.
 Data: <8ry=            > 38 72 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B3D7966C0, 16 bytes long.
 Data: < ry=            > 10 72 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B3D796CB0, 16 bytes long.
 Data: <&#232;qy=            > E8 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B3D796530, 16 bytes long.
 Data: <&#192;qy=            > C0 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B3D796E40, 16 bytes long.
 Data: < qy=            > 98 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B3D796490, 16 bytes long.
 Data: <pqy=            > 70 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B3D7961C0, 16 bytes long.
 Data: < Wy=            > 00 57 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B3D795700, 40 bytes long.
 Data: <&#192;ay=     sE?    > C0 61 79 3D 0B 02 00 00 00 73 45 3F 0B 02 00 00 
{264} normal block at 0x0000020B3D796990, 16 bytes long.
 Data: <Pqy=            > 50 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B3D796850, 16 bytes long.
 Data: <(qy=            > 28 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B3D7904F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000020B3D796B20, 16 bytes long.
 Data: < qy=            > 00 71 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B3D797100, 992 bytes long.
 Data: < ky=    &#240; y=    > 20 6B 79 3D 0B 02 00 00 F0 04 79 3D 0B 02 00 00 
{96} normal block at 0x0000020B3D78FBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000020B3D78DAD0, 16 bytes long.
 Data: < Zy=            > 80 5A 79 3D 0B 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020B3D795A80, 40 bytes long.
 Data: <&#208;&#218;x=    &#240;&#251;x=    > D0 DA 78 3D 0B 02 00 00 F0 FB 78 3D 0B 02 00 00 
{73} normal block at 0x0000020B3D78E2A0, 16 bytes long.
 Data: < &#234; &#190;&#247;           > 80 EA 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020B3D78E520, 16 bytes long.
 Data: <@&#233; &#190;&#247;           > 40 E9 9D BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020B3D78D940, 16 bytes long.
 Data: <&#248;W&#154;&#190;&#247;           > F8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020B3D78E480, 16 bytes long.
 Data: <&#216;W&#154;&#190;&#247;           > D8 57 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B3D78DD50, 16 bytes long.
 Data: <P &#154;&#190;&#247;           > 50 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B3D78D990, 16 bytes long.
 Data: <0 &#154;&#190;&#247;           > 30 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B3D78D8F0, 16 bytes long.
 Data: <&#224; &#154;&#190;&#247;           > E0 02 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B3D78E430, 16 bytes long.
 Data: <  &#154;&#190;&#247;           > 10 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B3D78E7A0, 16 bytes long.
 Data: <p &#154;&#190;&#247;           > 70 04 9A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B3D78E5C0, 16 bytes long.
 Data: < &#192; &#190;&#247;           > 18 C0 98 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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