Task 38685942

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9971_0
Workunit 31627395
Created 27 Oct 2026, 23:48:01 UTC
Sent 27 Oct 2026, 23:48:12 UTC
Report deadline 1 Nov 2026, 23:48:12 UTC
Received 28 Oct 2026, 1:06:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 24 sec
CPU time 23 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.11 MB
Peak swap size 6.93 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:42:23 (18744): wrapper (7.9.26016): starting
01:42:23 (18744): 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
01:42:24 (18744): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:42:24 (18744): 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\4\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\4\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
02:05:48 (18744): C:/Windows/system32/cmd.exe exited; CPU time 1383.421875
02:05:48 (18744): 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: 23158249 bytes.
Dumping objects ->
{3835601} normal block at 0x00000286DA89F230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x00000286DA89F930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x00000286DA89FC40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x00000286DA89F310, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x00000286D8D14B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x00000286DA9170C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x00000286DA92E6F0, 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) : {3835512} normal block at 0x00000286D8D0F0D0, 8 bytes long.
 Data: <  &#206;&#216;&#134;   > 00 00 CE D8 86 02 00 00 
{3834713} normal block at 0x00000286DA92EBC0, 102 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 0x00000286D8D0E860, 8 bytes long.
 Data: <&#224;Q&#154;&#218;&#134;   > E0 51 9A DA 86 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000286D8D10D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000286D8D06B50, 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 0x00000286D8D15970, 16 bytes long.
 Data: <&#216;f&#209;&#216;&#134;           > D8 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000286D8D15330, 16 bytes long.
 Data: <&#176;f&#209;&#216;&#134;           > B0 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000286D8D0F6E0, 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 0x00000286D8D158D0, 16 bytes long.
 Data: < f&#209;&#216;&#134;           > 88 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000286D8D152E0, 16 bytes long.
 Data: <`f&#209;&#216;&#134;           > 60 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000286D8D15290, 16 bytes long.
 Data: <8f&#209;&#216;&#134;           > 38 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000286D8D155B0, 16 bytes long.
 Data: < f&#209;&#216;&#134;           > 10 66 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000286D8D14CC0, 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 0x00000286D8D15240, 16 bytes long.
 Data: < &#229;&#208;&#216;&#134;           > 88 E5 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000286D8D101C0, 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 0x00000286D8D15F10, 16 bytes long.
 Data: <`&#229;&#208;&#216;&#134;           > 60 E5 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000286D8D15C40, 16 bytes long.
 Data: <8&#229;&#208;&#216;&#134;           > 38 E5 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000286D8D15420, 16 bytes long.
 Data: < &#229;&#208;&#216;&#134;           > 10 E5 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000286D8D15600, 16 bytes long.
 Data: <&#232;&#228;&#208;&#216;&#134;           > E8 E4 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000286D8D15BF0, 16 bytes long.
 Data: <&#192;&#228;&#208;&#216;&#134;           > C0 E4 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000286D8D15880, 16 bytes long.
 Data: < &#228;&#208;&#216;&#134;           > 98 E4 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000286D8D105E0, 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 0x00000286D8D15BA0, 16 bytes long.
 Data: <p&#228;&#208;&#216;&#134;           > 70 E4 D0 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000286D8D0E470, 320 bytes long.
 Data: <&#160;[&#209;&#216;&#134;   &#224; &#209;&#216;&#134;   > A0 5B D1 D8 86 02 00 00 E0 05 D1 D8 86 02 00 00 
{276} normal block at 0x00000286D8D15380, 16 bytes long.
 Data: <&#240;e&#209;&#216;&#134;           > F0 65 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000286D8D15830, 16 bytes long.
 Data: <&#200;e&#209;&#216;&#134;           > C8 65 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000286D8D0F9E0, 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 0x00000286D8D16000, 16 bytes long.
 Data: <&#160;e&#209;&#216;&#134;           > A0 65 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000286D8D10040, 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 0x00000286D8D160A0, 16 bytes long.
 Data: <&#232;d&#209;&#216;&#134;           > E8 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000286D8D157E0, 16 bytes long.
 Data: <&#192;d&#209;&#216;&#134;           > C0 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000286D8D159C0, 16 bytes long.
 Data: < d&#209;&#216;&#134;           > 98 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000286D8D15F60, 16 bytes long.
 Data: <pd&#209;&#216;&#134;           > 70 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000286D8D153D0, 16 bytes long.
 Data: <Hd&#209;&#216;&#134;           > 48 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000286D8D15B50, 16 bytes long.
 Data: < d&#209;&#216;&#134;           > 20 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000286D8D160F0, 16 bytes long.
 Data: <&#160;F&#209;&#216;&#134;           > A0 46 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000286D8D146A0, 40 bytes long.
 Data: <&#240;`&#209;&#216;&#134;   &#192;p&#145;&#218;&#134;   > F0 60 D1 D8 86 02 00 00 C0 70 91 DA 86 02 00 00 
{262} normal block at 0x00000286D8D16190, 16 bytes long.
 Data: < d&#209;&#216;&#134;           > 00 64 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000286D8D15AB0, 16 bytes long.
 Data: <&#216;c&#209;&#216;&#134;           > D8 63 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000286D8D10460, 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 0x00000286D8D15790, 16 bytes long.
 Data: <&#176;c&#209;&#216;&#134;           > B0 63 D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000286D8D163B0, 992 bytes long.
 Data: < W&#209;&#216;&#134;   ` &#209;&#216;&#134;   > 90 57 D1 D8 86 02 00 00 60 04 D1 D8 86 02 00 00 
{94} normal block at 0x00000286D8D0FB60, 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 0x00000286D8D0F490, 16 bytes long.
 Data: <&#224;K&#209;&#216;&#134;           > E0 4B D1 D8 86 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000286D8D14BE0, 40 bytes long.
 Data: < &#244;&#208;&#216;&#134;   `&#251;&#208;&#216;&#134;   > 90 F4 D0 D8 86 02 00 00 60 FB D0 D8 86 02 00 00 
{71} normal block at 0x00000286D8D0F440, 16 bytes long.
 Data: < &#234;z &#246;           > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000286D8D0EC70, 16 bytes long.
 Data: <@&#233;z &#246;           > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000286D8D0ECC0, 16 bytes long.
 Data: <&#248;Ww &#246;           > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000286D8D0F3F0, 16 bytes long.
 Data: <&#216;Ww &#246;           > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000286D8D0F4E0, 16 bytes long.
 Data: <P w &#246;           > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000286D8D0E950, 16 bytes long.
 Data: <0 w &#246;           > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000286D8D0E900, 16 bytes long.
 Data: <&#224; w &#246;           > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000286D8D0F350, 16 bytes long.
 Data: <  w &#246;           > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000286D8D0EE50, 16 bytes long.
 Data: <p w &#246;           > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000286D8D0EAE0, 16 bytes long.
 Data: < &#192;u &#246;           > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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