Task 38689092

Name test_853-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0316_0
Workunit 31630368
Created 28 Oct 2026, 18:16:53 UTC
Sent 28 Oct 2026, 18:17:10 UTC
Report deadline 2 Nov 2026, 18:17:10 UTC
Received 28 Oct 2026, 19:26:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 7 min 42 sec
CPU time 1 hours 4 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.17 MB
Peak swap size 12.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:19:06 (22424): wrapper (7.9.26016): starting
03:19:06 (22424): 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
03:19:07 (22424): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:19:07 (22424): 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\34\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\34\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
04:25:51 (22424): C:/Windows/system32/cmd.exe exited; CPU time 3841.984375
04:25:51 (22424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67496981 bytes.
Dumping objects ->
{3835600} normal block at 0x00000233755C9F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x00000233755CA820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x00000233755C9940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x00000233755C9E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x00000233755CA7B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x0000023377685F30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000002337769EE20, 104 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) : {3835511} normal block at 0x000002337559E380, 8 bytes long.
 Data: <  &#168;u3   > 00 00 A8 75 33 02 00 00 
{3834797} normal block at 0x000002337769EC10, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x000002337559ECE0, 8 bytes long.
 Data: <  gu3   > 90 E5 67 75 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x00000233755A3590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000023375596E60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x00000233755A6940, 16 bytes long.
 Data: <xwZu3           > 78 77 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000233755A73E0, 16 bytes long.
 Data: <PwZu3           > 50 77 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000233755A0310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x00000233755A7390, 16 bytes long.
 Data: <(wZu3           > 28 77 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000233755A7250, 16 bytes long.
 Data: < wZu3           > 00 77 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000233755A6850, 16 bytes long.
 Data: <&#216;vZu3           > D8 76 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000233755A7020, 16 bytes long.
 Data: <&#176;vZu3           > B0 76 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000233755A16D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x00000233755A6800, 16 bytes long.
 Data: <8 Zu3           > 38 01 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000233755A0850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x00000233755A6B20, 16 bytes long.
 Data: <  Zu3           > 10 01 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000233755A7340, 16 bytes long.
 Data: <  Zu3           > E8 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000233755A72F0, 16 bytes long.
 Data: <&#192; Zu3           > C0 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000233755A6580, 16 bytes long.
 Data: <  Zu3           > 98 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000233755A6990, 16 bytes long.
 Data: <p Zu3           > 70 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000233755A67B0, 16 bytes long.
 Data: <H Zu3           > 48 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000233755A10F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x00000233755A66C0, 16 bytes long.
 Data: <  Zu3           > 20 00 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000233755A0020, 320 bytes long.
 Data: <&#192;fZu3     Zu3   > C0 66 5A 75 33 02 00 00 F0 10 5A 75 33 02 00 00 
{288} normal block at 0x00000233755A70C0, 16 bytes long.
 Data: < vZu3           > 90 76 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000233755A72A0, 16 bytes long.
 Data: <hvZu3           > 68 76 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000233755A0490, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x00000233755A6760, 16 bytes long.
 Data: <@vZu3           > 40 76 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000233755A0F10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x00000233755A6DF0, 16 bytes long.
 Data: < uZu3           > 88 75 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233755A68A0, 16 bytes long.
 Data: <`uZu3           > 60 75 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000233755A6AD0, 16 bytes long.
 Data: <8uZu3           > 38 75 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233755A64E0, 16 bytes long.
 Data: < uZu3           > 10 75 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000233755A6710, 16 bytes long.
 Data: < tZu3           > E8 74 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000233755A68F0, 16 bytes long.
 Data: <&#192;tZu3           > C0 74 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000233755A71B0, 16 bytes long.
 Data: <0 Zu3           > 30 14 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000233755A1430, 40 bytes long.
 Data: <&#176;qZu3   0_hw3   > B0 71 5A 75 33 02 00 00 30 5F 68 77 33 02 00 00 
{274} normal block at 0x00000233755A6FD0, 16 bytes long.
 Data: < tZu3           > A0 74 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000233755A6670, 16 bytes long.
 Data: <xtZu3           > 78 74 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000233755A0EB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x00000233755A6530, 16 bytes long.
 Data: <PtZu3           > 50 74 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000233755A7450, 992 bytes long.
 Data: <0eZu3   &#176; Zu3   > 30 65 5A 75 33 02 00 00 B0 0E 5A 75 33 02 00 00 
{106} normal block at 0x00000233755A07F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002337559E650, 16 bytes long.
 Data: <&#192; Zu3           > C0 13 5A 75 33 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000233755A13C0, 40 bytes long.
 Data: <P Yu3     Zu3   > 50 E6 59 75 33 02 00 00 F0 07 5A 75 33 02 00 00 
{81} normal block at 0x000002337559EBF0, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002337559EDD0, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002337559EBA0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002337559E100, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002337559E0B0, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002337559DFC0, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002337559E880, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002337559E1A0, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002337559EA10, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002337559E5B0, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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