Task 38684642

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7187_0
Workunit 31626150
Created 27 Oct 2026, 17:17:40 UTC
Sent 27 Oct 2026, 17:17:43 UTC
Report deadline 1 Nov 2026, 17:17:43 UTC
Received 27 Oct 2026, 19:01:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 39 min 35 sec
CPU time 38 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.09 MB
Peak swap size 12.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:22:03 (37880): wrapper (7.9.26016): starting
13:22:03 (37880): 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
13:22:04 (37880): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:22:04 (37880): 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\14\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\14\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
14:00:56 (37880): C:/Windows/system32/cmd.exe exited; CPU time 2281.671875
14:00:56 (37880): 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: 28163513 bytes.
Dumping objects ->
{3835570} normal block at 0x0000021B296F12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x0000021B296F0C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000021B296F14F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x0000021B296F0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x0000021B296F1020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x0000021B2979B4A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x0000021B297FCB50, 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) : {3835481} normal block at 0x0000021B27B96F00, 8 bytes long.
 Data: <  P)    > 00 00 50 29 1B 02 00 00 
{3834692} normal block at 0x0000021B297FCF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000021B27B96CD0, 8 bytes long.
 Data: < x )    > 00 78 88 29 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021B27BA0E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B27B8ADE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021B27BA27C0, 16 bytes long.
 Data: <&#168;4&#186;'            > A8 34 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B27BA2770, 16 bytes long.
 Data: < 4&#186;'            > 80 34 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B27B9D580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021B27BA2900, 16 bytes long.
 Data: <X4&#186;'            > 58 34 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B27BA2B30, 16 bytes long.
 Data: <04&#186;'            > 30 34 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B27BA20E0, 16 bytes long.
 Data: < 4&#186;'            > 08 34 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B27BA2720, 16 bytes long.
 Data: <&#224;3&#186;'            > E0 33 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B27B9B530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021B27BA2A90, 16 bytes long.
 Data: <H&#186;&#184;'            > 48 BA B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B27B9DA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021B27BA2B80, 16 bytes long.
 Data: < &#186;&#184;'            > 20 BA B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B27BA26D0, 16 bytes long.
 Data: <&#248;&#185;&#184;'            > F8 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B27BA2590, 16 bytes long.
 Data: <&#208;&#185;&#184;'            > D0 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B27BA24F0, 16 bytes long.
 Data: <&#168;&#185;&#184;'            > A8 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B27BA22C0, 16 bytes long.
 Data: < &#185;&#184;'            > 80 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B27BA2680, 16 bytes long.
 Data: <X&#185;&#184;'            > 58 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B27B9E180, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000021B27BA1E10, 16 bytes long.
 Data: <0&#185;&#184;'            > 30 B9 B8 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B27B8B930, 320 bytes long.
 Data: <  &#186;'     &#225;&#185;'    > 10 1E BA 27 1B 02 00 00 80 E1 B9 27 1B 02 00 00 
{270} normal block at 0x0000021B27BA24A0, 16 bytes long.
 Data: <&#192;3&#186;'            > C0 33 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B27BA1DC0, 16 bytes long.
 Data: < 3&#186;'            > 98 33 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B27B9D9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021B27BA2270, 16 bytes long.
 Data: <p3&#186;'            > 70 33 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B27B9D760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021B27BA2450, 16 bytes long.
 Data: <&#184;2&#186;'            > B8 32 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B27BA1E60, 16 bytes long.
 Data: < 2&#186;'            > 90 32 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B27BA2950, 16 bytes long.
 Data: <h2&#186;'            > 68 32 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B27BA23B0, 16 bytes long.
 Data: <@2&#186;'            > 40 32 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B27BA2630, 16 bytes long.
 Data: < 2&#186;'            > 18 32 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021B27BA2D10, 16 bytes long.
 Data: <&#240;1&#186;'            > F0 31 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B27BA29F0, 16 bytes long.
 Data: <&#240;&#175;&#185;'            > F0 AF B9 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021B27B9AFF0, 40 bytes long.
 Data: <&#240;)&#186;'    &#160;&#180;y)    > F0 29 BA 27 1B 02 00 00 A0 B4 79 29 1B 02 00 00 
{256} normal block at 0x0000021B27BA2AE0, 16 bytes long.
 Data: <&#208;1&#186;'            > D0 31 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021B27BA2810, 16 bytes long.
 Data: <&#168;1&#186;'            > A8 31 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021B27B9D340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021B27BA2A40, 16 bytes long.
 Data: < 1&#186;'            > 80 31 BA 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021B27BA3180, 992 bytes long.
 Data: <@*&#186;'    @&#211;&#185;'    > 40 2A BA 27 1B 02 00 00 40 D3 B9 27 1B 02 00 00 
{88} normal block at 0x0000021B27B9DFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021B27B968C0, 16 bytes long.
 Data: <&#160;&#181;&#185;'            > A0 B5 B9 27 1B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021B27B9B5A0, 40 bytes long.
 Data: <&#192;h&#185;'    &#160;&#223;&#185;'    > C0 68 B9 27 1B 02 00 00 A0 DF B9 27 1B 02 00 00 
{65} normal block at 0x0000021B27B96910, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B27B96410, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B27B963C0, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B27B96C80, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B27B96C30, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021B27B96B90, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021B27B96370, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021B27B96D20, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021B27B96E60, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021B27B96B40, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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