Task 38688094

Name test_999-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0548_0
Workunit 31629463
Created 28 Oct 2026, 11:37:37 UTC
Sent 28 Oct 2026, 11:37:40 UTC
Report deadline 2 Nov 2026, 11:37:40 UTC
Received 28 Oct 2026, 12:22:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 43 min 30 sec
CPU time 39 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.54 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:39:07 (55140): wrapper (7.9.26016): starting
05:39:07 (55140): 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
05:39:09 (55140): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:39:09 (55140): 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\12\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\12\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
06:22:01 (55140): C:/Windows/system32/cmd.exe exited; CPU time 2393.890625
06:22:01 (55140): 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: 54968225 bytes.
Dumping objects ->
{3835232} normal block at 0x000002235BA8C740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000022359E24C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000022359E24BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x0000022359E24970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000022359E24900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x000002235BADBBA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000022359E89FE0, 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) : {3835143} normal block at 0x0000022359E1F410, 8 bytes long.
 Data: <  AZ#   > 00 00 41 5A 23 02 00 00 
{3834543} normal block at 0x0000022359E8A800, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022359E1EEC0, 8 bytes long.
 Data: <&#176;&#227;&#158;[#   > B0 E3 9E 5B 23 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022359E20B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022359E16810, 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 0x0000022359E263C0, 16 bytes long.
 Data: <&#248;g&#226;Y#           > F8 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022359E25BF0, 16 bytes long.
 Data: <&#208;g&#226;Y#           > D0 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022359E20630, 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 0x0000022359E26370, 16 bytes long.
 Data: <&#168;g&#226;Y#           > A8 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022359E25AB0, 16 bytes long.
 Data: < g&#226;Y#           > 80 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022359E25B50, 16 bytes long.
 Data: <Xg&#226;Y#           > 58 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022359E25560, 16 bytes long.
 Data: <0g&#226;Y#           > 30 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022359E24D60, 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 0x0000022359E26320, 16 bytes long.
 Data: <&#216;&#182;&#224;Y#           > D8 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022359E1FA30, 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 0x0000022359E259C0, 16 bytes long.
 Data: <&#176;&#182;&#224;Y#           > B0 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022359E25FB0, 16 bytes long.
 Data: < &#182;&#224;Y#           > 88 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022359E25790, 16 bytes long.
 Data: <`&#182;&#224;Y#           > 60 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022359E261E0, 16 bytes long.
 Data: <8&#182;&#224;Y#           > 38 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022359E25740, 16 bytes long.
 Data: < &#182;&#224;Y#           > 10 B6 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022359E26190, 16 bytes long.
 Data: <&#232;&#181;&#224;Y#           > E8 B5 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022359E1F9D0, 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 0x0000022359E25F10, 16 bytes long.
 Data: <&#192;&#181;&#224;Y#           > C0 B5 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022359E0B5C0, 320 bytes long.
 Data: < _&#226;Y#   &#208;&#249;&#225;Y#   > 10 5F E2 59 23 02 00 00 D0 F9 E1 59 23 02 00 00 
{276} normal block at 0x0000022359E25BA0, 16 bytes long.
 Data: < g&#226;Y#           > 10 67 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022359E262D0, 16 bytes long.
 Data: <&#232;f&#226;Y#           > E8 66 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022359E1FF10, 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 0x0000022359E25DD0, 16 bytes long.
 Data: <&#192;f&#226;Y#           > C0 66 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022359E20270, 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 0x0000022359E256F0, 16 bytes long.
 Data: < f&#226;Y#           > 08 66 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022359E25D80, 16 bytes long.
 Data: <&#224;e&#226;Y#           > E0 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022359E26280, 16 bytes long.
 Data: <&#184;e&#226;Y#           > B8 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022359E25A10, 16 bytes long.
 Data: < e&#226;Y#           > 90 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022359E25510, 16 bytes long.
 Data: <he&#226;Y#           > 68 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022359E25880, 16 bytes long.
 Data: <@e&#226;Y#           > 40 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022359E25D30, 16 bytes long.
 Data: < L&#226;Y#           > 80 4C E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022359E24C80, 40 bytes long.
 Data: <0]&#226;Y#   &#160;&#187;&#173;[#   > 30 5D E2 59 23 02 00 00 A0 BB AD 5B 23 02 00 00 
{262} normal block at 0x0000022359E26230, 16 bytes long.
 Data: < e&#226;Y#           > 20 65 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022359E26140, 16 bytes long.
 Data: <&#248;d&#226;Y#           > F8 64 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022359E20750, 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 0x0000022359E25F60, 16 bytes long.
 Data: <&#208;d&#226;Y#           > D0 64 E2 59 23 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022359E264D0, 992 bytes long.
 Data: <`_&#226;Y#   P &#226;Y#   > 60 5F E2 59 23 02 00 00 50 07 E2 59 23 02 00 00 
{94} normal block at 0x0000022359E205D0, 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 0x0000022359E1F190, 16 bytes long.
 Data: <P&#195;&#224;Y#           > 50 C3 E0 59 23 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022359E0C350, 40 bytes long.
 Data: < &#241;&#225;Y#   &#208; &#226;Y#   > 90 F1 E1 59 23 02 00 00 D0 05 E2 59 23 02 00 00 
{71} normal block at 0x0000022359E1ED80, 16 bytes long.
 Data: < &#234;&#194;j&#246;           > 80 EA C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022359E1F7D0, 16 bytes long.
 Data: <@&#233;&#194;j&#246;           > 40 E9 C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022359E1F0A0, 16 bytes long.
 Data: <&#248;W&#191;j&#246;           > F8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022359E1F2D0, 16 bytes long.
 Data: <&#216;W&#191;j&#246;           > D8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022359E1F870, 16 bytes long.
 Data: <P &#191;j&#246;           > 50 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022359E1F3C0, 16 bytes long.
 Data: <0 &#191;j&#246;           > 30 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022359E1F0F0, 16 bytes long.
 Data: <&#224; &#191;j&#246;           > E0 02 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022359E1F140, 16 bytes long.
 Data: <  &#191;j&#246;           > 10 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022359E1F550, 16 bytes long.
 Data: <p &#191;j&#246;           > 70 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022359E1F460, 16 bytes long.
 Data: < &#192;&#189;j&#246;           > 18 C0 BD 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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