Task 38687503

Name test_117-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9487_0
Workunit 31628890
Created 28 Oct 2026, 8:10:56 UTC
Sent 28 Oct 2026, 8:11:00 UTC
Report deadline 2 Nov 2026, 8:11:00 UTC
Received 28 Oct 2026, 9:50:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593978
Run time 45 min 31 sec
CPU time 43 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.81 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:06:33 (5380): wrapper (7.9.26016): starting
05:06:33 (5380): 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
05:06:35 (5380): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:06:35 (5380): 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
05:50:05 (5380): C:/Windows/system32/cmd.exe exited; CPU time 2597.140625
05:50:05 (5380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 42819994 bytes.
Dumping objects ->
{3835225} normal block at 0x0000022C0C7D0A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000022C0C7D07D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000022C0C7D1640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835192} normal block at 0x0000022C0C7D0D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000022C0C7D1560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835150} normal block at 0x0000022C0C87B780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x0000022C0C87BDB0, 85 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) : {3835136} normal block at 0x0000022C0AD473A0, 8 bytes long.
 Data: <  &#210; ,   > 00 00 D2 0A 2C 02 00 00 
{3834533} normal block at 0x0000022C0C87C490, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000022C0AD479E0, 8 bytes long.
 Data: <0 &#132; ,   > 30 8D 84 0C 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022C0AD50FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C0AD3CA90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000022C0AD52A00, 16 bytes long.
 Data: <83&#213; ,           > 38 33 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C0AD52870, 16 bytes long.
 Data: < 3&#213; ,           > 10 33 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C0AD4D750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000022C0AD520F0, 16 bytes long.
 Data: <&#232;2&#213; ,           > E8 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C0AD520A0, 16 bytes long.
 Data: <&#192;2&#213; ,           > C0 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C0AD52820, 16 bytes long.
 Data: < 2&#213; ,           > 98 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C0AD527D0, 16 bytes long.
 Data: <p2&#213; ,           > 70 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C0AD4C120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000022C0AD52960, 16 bytes long.
 Data: <x\&#211; ,           > 78 5C D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C0AD4D630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000022C0AD52280, 16 bytes long.
 Data: <P\&#211; ,           > 50 5C D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C0AD52B90, 16 bytes long.
 Data: <(\&#211; ,           > 28 5C D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C0AD52050, 16 bytes long.
 Data: < \&#211; ,           > 00 5C D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C0AD52730, 16 bytes long.
 Data: <&#216;[&#211; ,           > D8 5B D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C0AD52230, 16 bytes long.
 Data: <&#176;[&#211; ,           > B0 5B D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C0AD522D0, 16 bytes long.
 Data: < [&#211; ,           > 88 5B D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C0AD4DC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000022C0AD52FA0, 16 bytes long.
 Data: <`[&#211; ,           > 60 5B D3 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C0AD35B60, 320 bytes long.
 Data: <&#160;/&#213; ,    &#220;&#212; ,   > A0 2F D5 0A 2C 02 00 00 90 DC D4 0A 2C 02 00 00 
{272} normal block at 0x0000022C0AD525F0, 16 bytes long.
 Data: <P2&#213; ,           > 50 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C0AD524B0, 16 bytes long.
 Data: <(2&#213; ,           > 28 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C0AD4D0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000022C0AD52F50, 16 bytes long.
 Data: < 2&#213; ,           > 00 32 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C0AD4D570, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000022C0AD52F00, 16 bytes long.
 Data: <H1&#213; ,           > 48 31 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C0AD52460, 16 bytes long.
 Data: < 1&#213; ,           > 20 31 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C0AD52370, 16 bytes long.
 Data: <&#248;0&#213; ,           > F8 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C0AD52EB0, 16 bytes long.
 Data: <&#208;0&#213; ,           > D0 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C0AD526E0, 16 bytes long.
 Data: <&#168;0&#213; ,           > A8 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C0AD52690, 16 bytes long.
 Data: < 0&#213; ,           > 80 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022C0AD525A0, 16 bytes long.
 Data: <&#160;&#189;&#212; ,           > A0 BD D4 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C0AD4BDA0, 40 bytes long.
 Data: <&#160;%&#213; ,    &#183;&#135; ,   > A0 25 D5 0A 2C 02 00 00 80 B7 87 0C 2C 02 00 00 
{258} normal block at 0x0000022C0AD52DC0, 16 bytes long.
 Data: <`0&#213; ,           > 60 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022C0AD52550, 16 bytes long.
 Data: <80&#213; ,           > 38 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022C0AD4D6F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000022C0AD52910, 16 bytes long.
 Data: < 0&#213; ,           > 10 30 D5 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022C0AD53010, 992 bytes long.
 Data: < )&#213; ,   &#240;&#214;&#212; ,   > 10 29 D5 0A 2C 02 00 00 F0 D6 D4 0A 2C 02 00 00 
{90} normal block at 0x0000022C0AD4D7B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000022C0AD47710, 16 bytes long.
 Data: <&#240;&#190;&#212; ,           > F0 BE D4 0A 2C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000022C0AD4BEF0, 40 bytes long.
 Data: < w&#212; ,   &#176;&#215;&#212; ,   > 10 77 D4 0A 2C 02 00 00 B0 D7 D4 0A 2C 02 00 00 
{67} normal block at 0x0000022C0AD475D0, 16 bytes long.
 Data: < &#234; C&#246;           > 80 EA 8D 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C0AD47030, 16 bytes long.
 Data: <@&#233; C&#246;           > 40 E9 8D 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C0AD46E50, 16 bytes long.
 Data: <&#248;W&#138;C&#246;           > F8 57 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C0AD47DA0, 16 bytes long.
 Data: <&#216;W&#138;C&#246;           > D8 57 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C0AD47800, 16 bytes long.
 Data: <P &#138;C&#246;           > 50 04 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C0AD47D00, 16 bytes long.
 Data: <0 &#138;C&#246;           > 30 04 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C0AD46F40, 16 bytes long.
 Data: <&#224; &#138;C&#246;           > E0 02 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022C0AD47170, 16 bytes long.
 Data: <  &#138;C&#246;           > 10 04 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022C0AD47990, 16 bytes long.
 Data: <p &#138;C&#246;           > 70 04 8A 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022C0AD47580, 16 bytes long.
 Data: < &#192; C&#246;           > 18 C0 88 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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