Task 38679233

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8742_0
Workunit 31621021
Created 26 Oct 2026, 19:53:43 UTC
Sent 26 Oct 2026, 19:53:45 UTC
Report deadline 31 Oct 2026, 19:53:45 UTC
Received 26 Oct 2026, 20:15:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 37 sec
CPU time 18 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.23 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:55:18 (12128): wrapper (7.9.26016): starting
15:55:18 (12128): 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
15:55:19 (12128): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:55:19 (12128): 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\2\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\2\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
16:15:08 (12128): C:/Windows/system32/cmd.exe exited; CPU time 1112.125000
16:15:08 (12128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20732899 bytes.
Dumping objects ->
{3835237} normal block at 0x00000299C3DA3D40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000299C3DA4210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x00000299C3DA4670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x00000299C1F14B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x00000299C1F14760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x00000299C3D18C60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000299C3D2E220, 102 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) : {3835148} normal block at 0x00000299C1F106F0, 8 bytes long.
 Data: <  A&#194;    > 00 00 41 C2 99 02 00 00 
{3834547} normal block at 0x00000299C3D2E7A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000299C1F115A0, 8 bytes long.
 Data: <&#240;G&#215;&#195;    > F0 47 D7 C3 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000299C1F05FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000299C1F073C0, 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 0x00000299C1F163B0, 16 bytes long.
 Data: <&#248;T&#241;&#193;            > F8 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000299C1F158C0, 16 bytes long.
 Data: <&#208;T&#241;&#193;            > D0 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000299C1F0FA40, 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 0x00000299C1F16130, 16 bytes long.
 Data: <&#168;T&#241;&#193;            > A8 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000299C1F15870, 16 bytes long.
 Data: < T&#241;&#193;            > 80 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000299C1F15F50, 16 bytes long.
 Data: <XT&#241;&#193;            > 58 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000299C1F15DC0, 16 bytes long.
 Data: <0T&#241;&#193;            > 30 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000299C1F14C30, 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 0x00000299C1F15820, 16 bytes long.
 Data: <H&#228;&#239;&#193;            > 48 E4 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000299C1F0FFE0, 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 0x00000299C1F16310, 16 bytes long.
 Data: < &#228;&#239;&#193;            > 20 E4 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000299C1F15D70, 16 bytes long.
 Data: <&#248;&#227;&#239;&#193;            > F8 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000299C1F15F00, 16 bytes long.
 Data: <&#208;&#227;&#239;&#193;            > D0 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000299C1F16090, 16 bytes long.
 Data: <&#168;&#227;&#239;&#193;            > A8 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000299C1F15E60, 16 bytes long.
 Data: < &#227;&#239;&#193;            > 80 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000299C1F15640, 16 bytes long.
 Data: <X&#227;&#239;&#193;            > 58 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000299C1F103A0, 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 0x00000299C1F156E0, 16 bytes long.
 Data: <0&#227;&#239;&#193;            > 30 E3 EF C1 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000299C1EFE330, 320 bytes long.
 Data: <&#224;V&#241;&#193;    &#160; &#241;&#193;    > E0 56 F1 C1 99 02 00 00 A0 03 F1 C1 99 02 00 00 
{275} normal block at 0x00000299C1F160E0, 16 bytes long.
 Data: < T&#241;&#193;            > 10 54 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000299C1F157D0, 16 bytes long.
 Data: <&#232;S&#241;&#193;            > E8 53 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000299C1F0FB60, 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 0x00000299C1F16220, 16 bytes long.
 Data: <&#192;S&#241;&#193;            > C0 53 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000299C1F10580, 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 0x00000299C1F15A50, 16 bytes long.
 Data: < S&#241;&#193;            > 08 53 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000299C1F15B90, 16 bytes long.
 Data: <&#224;R&#241;&#193;            > E0 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000299C1F16360, 16 bytes long.
 Data: <&#184;R&#241;&#193;            > B8 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000299C1F15780, 16 bytes long.
 Data: < R&#241;&#193;            > 90 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000299C1F10F10, 16 bytes long.
 Data: <hR&#241;&#193;            > 68 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000299C1F10970, 16 bytes long.
 Data: <@R&#241;&#193;            > 40 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000299C1F115F0, 16 bytes long.
 Data: <&#192;K&#241;&#193;            > C0 4B F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000299C1F14BC0, 40 bytes long.
 Data: <&#240; &#241;&#193;    `&#140;&#209;&#195;    > F0 15 F1 C1 99 02 00 00 60 8C D1 C3 99 02 00 00 
{261} normal block at 0x00000299C1F10AB0, 16 bytes long.
 Data: < R&#241;&#193;            > 20 52 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000299C1F112D0, 16 bytes long.
 Data: <&#248;Q&#241;&#193;            > F8 51 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000299C1F10340, 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 0x00000299C1F10920, 16 bytes long.
 Data: <&#208;Q&#241;&#193;            > D0 51 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000299C1F151D0, 992 bytes long.
 Data: < 	&#241;&#193;    @ &#241;&#193;    > 20 09 F1 C1 99 02 00 00 40 03 F1 C1 99 02 00 00 
{93} normal block at 0x00000299C1F104C0, 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 0x00000299C1F10740, 16 bytes long.
 Data: <&#176;H&#241;&#193;            > B0 48 F1 C1 99 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000299C1F148B0, 40 bytes long.
 Data: <@ &#241;&#193;    &#192; &#241;&#193;    > 40 07 F1 C1 99 02 00 00 C0 04 F1 C1 99 02 00 00 
{70} normal block at 0x00000299C1F113C0, 16 bytes long.
 Data: < &#234;'&#250;&#246;           > 80 EA 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000299C1F11050, 16 bytes long.
 Data: <@&#233;'&#250;&#246;           > 40 E9 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000299C1F110A0, 16 bytes long.
 Data: <&#248;W$&#250;&#246;           > F8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000299C1F10C90, 16 bytes long.
 Data: <&#216;W$&#250;&#246;           > D8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000299C1F11550, 16 bytes long.
 Data: <P $&#250;&#246;           > 50 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000299C1F10830, 16 bytes long.
 Data: <0 $&#250;&#246;           > 30 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000299C1F10D30, 16 bytes long.
 Data: <&#224; $&#250;&#246;           > E0 02 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000299C1F11640, 16 bytes long.
 Data: <  $&#250;&#246;           > 10 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000299C1F11500, 16 bytes long.
 Data: <p $&#250;&#246;           > 70 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000299C1F10C40, 16 bytes long.
 Data: < &#192;"&#250;&#246;           > 18 C0 22 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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