Task 38663102

Name test_330-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7725_0
Workunit 31606330
Created 24 Oct 2026, 21:19:18 UTC
Sent 24 Oct 2026, 21:19:34 UTC
Report deadline 29 Oct 2026, 21:19:34 UTC
Received 24 Oct 2026, 22:34:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644627
Run time 33 min 3 sec
CPU time 29 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.41 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:43 (16520): wrapper (7.9.26016): starting
18:02:43 (16520): 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
18:02:44 (16520): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:44 (16520): 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\0\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\0\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
18:34:19 (16520): C:/Windows/system32/cmd.exe exited; CPU time 1773.125000
18:34:19 (16520): 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: 35304687 bytes.
Dumping objects ->
{3835428} normal block at 0x0000019079146350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000019077243080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x0000019077243010, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x0000019077242FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000019077242F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x00000190790EB020, 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) : {3835340} normal block at 0x000001907723E3F0, 8 bytes long.
 Data: <  &#133;w    > 00 00 85 77 90 01 00 00 
{3833959} normal block at 0x000001907723E2B0, 8 bytes long.
 Data: <&#192;( y    > C0 28 1C 79 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001907723ED70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019077236760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000190772439B0, 16 bytes long.
 Data: <x7$w            > 78 37 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019077243DC0, 16 bytes long.
 Data: <P7$w            > 50 37 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001907723D590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000019077243C80, 16 bytes long.
 Data: <(7$w            > 28 37 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019077244220, 16 bytes long.
 Data: < 7$w            > 00 37 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019077243BE0, 16 bytes long.
 Data: <&#216;6$w            > D8 36 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000190772447C0, 16 bytes long.
 Data: <&#176;6$w            > B0 36 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019077243240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000019077243960, 16 bytes long.
 Data: <&#168;&#148;#w            > A8 94 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001907723DBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000019077244810, 16 bytes long.
 Data: < &#148;#w            > 80 94 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019077243D70, 16 bytes long.
 Data: <X&#148;#w            > 58 94 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019077244770, 16 bytes long.
 Data: <0&#148;#w            > 30 94 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000190772441D0, 16 bytes long.
 Data: < &#148;#w            > 08 94 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019077244180, 16 bytes long.
 Data: <&#224;&#147;#w            > E0 93 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019077244630, 16 bytes long.
 Data: <&#184;&#147;#w            > B8 93 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001907723D0B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000019077243C30, 16 bytes long.
 Data: < &#147;#w            > 90 93 23 77 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019077239390, 320 bytes long.
 Data: <0<$w    &#176;&#208;#w    > 30 3C 24 77 90 01 00 00 B0 D0 23 77 90 01 00 00 
{275} normal block at 0x0000019077244270, 16 bytes long.
 Data: < 6$w            > 90 36 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019077243A50, 16 bytes long.
 Data: <h6$w            > 68 36 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001907723D350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000019077244130, 16 bytes long.
 Data: <@6$w            > 40 36 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001907723DB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000019077243910, 16 bytes long.
 Data: < 5$w            > 88 35 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019077243B90, 16 bytes long.
 Data: <`5$w            > 60 35 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019077243FA0, 16 bytes long.
 Data: <85$w            > 38 35 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000190772438C0, 16 bytes long.
 Data: < 5$w            > 10 35 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019077243F00, 16 bytes long.
 Data: <&#232;4$w            > E8 34 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001907723EB70, 16 bytes long.
 Data: <&#192;4$w            > C0 34 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001907723E940, 16 bytes long.
 Data: <&#224;-$w            > E0 2D 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019077242DE0, 40 bytes long.
 Data: <@&#233;#w     &#176; y    > 40 E9 23 77 90 01 00 00 20 B0 0E 79 90 01 00 00 
{261} normal block at 0x000001907723E800, 16 bytes long.
 Data: <&#160;4$w            > A0 34 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001907723EA30, 16 bytes long.
 Data: <x4$w            > 78 34 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001907723DB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001907723E210, 16 bytes long.
 Data: <P4$w            > 50 34 24 77 90 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019077243450, 992 bytes long.
 Data: < &#226;#w    0&#219;#w    > 10 E2 23 77 90 01 00 00 30 DB 23 77 90 01 00 00 
{93} normal block at 0x000001907723D170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001907723E4E0, 16 bytes long.
 Data: < &#213;"w            > 10 D5 22 77 90 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001907722D510, 40 bytes long.
 Data: <&#224;&#228;#w    p&#209;#w    > E0 E4 23 77 90 01 00 00 70 D1 23 77 90 01 00 00 
{70} normal block at 0x000001907723DDB0, 16 bytes long.
 Data: < &#234;&#249; &#246;           > 80 EA F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001907723EC10, 16 bytes long.
 Data: <@&#233;&#249; &#246;           > 40 E9 F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001907723E440, 16 bytes long.
 Data: <&#248;W&#246; &#246;           > F8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001907723EBC0, 16 bytes long.
 Data: <&#216;W&#246; &#246;           > D8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001907723E670, 16 bytes long.
 Data: <P &#246; &#246;           > 50 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001907723E3A0, 16 bytes long.
 Data: <0 &#246; &#246;           > 30 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001907723E710, 16 bytes long.
 Data: <&#224; &#246; &#246;           > E0 02 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001907723E0D0, 16 bytes long.
 Data: <  &#246; &#246;           > 10 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001907723E6C0, 16 bytes long.
 Data: <p &#246; &#246;           > 70 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001907723E260, 16 bytes long.
 Data: < &#192;&#244; &#246;           > 18 C0 F4 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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