Task 38696942

Name test_101-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7693_1
Workunit 31623776
Created 1 Nov 2026, 6:43:32 UTC
Sent 1 Nov 2026, 6:43:35 UTC
Report deadline 6 Nov 2026, 6:43:35 UTC
Received 1 Nov 2026, 7:09:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646139
Run time 22 min 21 sec
CPU time 21 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.93 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:12 (5052): wrapper (7.9.26016): starting
01:47:12 (5052): 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
01:47:13 (5052): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:47:13 (5052): 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\10\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\10\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
02:09:10 (5052): C:/Windows/system32/cmd.exe exited; CPU time 1287.828125
02:09:10 (5052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25780747 bytes.
Dumping objects ->
{3835583} normal block at 0x00000126D10E9540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835572} normal block at 0x00000126D10E9310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835561} normal block at 0x00000126D10E8EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835550} normal block at 0x00000126D10E9850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000126D10E98C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835508} normal block at 0x00000126D2D969E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835495} normal block at 0x00000126D10BD6B0, 8 bytes long.
 Data: <  o&#209;&   > 00 00 6F D1 26 01 00 00 
{3833969} normal block at 0x00000126D10BDCF0, 8 bytes long.
 Data: <`B&#226;&#210;&   > 60 42 E2 D2 26 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000126D10C2100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000126D10B6A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000126D10C5E10, 16 bytes long.
 Data: < [ &#209;&           > 88 5B 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000126D10C63B0, 16 bytes long.
 Data: <`[ &#209;&           > 60 5B 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000126D10BF290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000126D10C6590, 16 bytes long.
 Data: <8[ &#209;&           > 38 5B 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000126D10C6220, 16 bytes long.
 Data: < [ &#209;&           > 10 5B 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000126D10C6900, 16 bytes long.
 Data: <&#232;Z &#209;&           > E8 5A 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000126D10C6040, 16 bytes long.
 Data: <&#192;Z &#209;&           > C0 5A 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000126D10C0530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000126D10C5FF0, 16 bytes long.
 Data: <&#232;&#241; &#209;&           > E8 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000126D10BF0B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000126D10C6770, 16 bytes long.
 Data: <&#192;&#241; &#209;&           > C0 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000126D10C6B30, 16 bytes long.
 Data: < &#241; &#209;&           > 98 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000126D10C6810, 16 bytes long.
 Data: <p&#241; &#209;&           > 70 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000126D10C6180, 16 bytes long.
 Data: <H&#241; &#209;&           > 48 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000126D10C5FA0, 16 bytes long.
 Data: < &#241; &#209;&           > 20 F1 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000126D10C69A0, 16 bytes long.
 Data: <&#248;&#240; &#209;&           > F8 F0 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000126D10BF470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000126D10C5D70, 16 bytes long.
 Data: <&#208;&#240; &#209;&           > D0 F0 0A D1 26 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000126D10AF0D0, 320 bytes long.
 Data: <p] &#209;&   p&#244; &#209;&   > 70 5D 0C D1 26 01 00 00 70 F4 0B D1 26 01 00 00 
{280} normal block at 0x00000126D10C5F50, 16 bytes long.
 Data: <&#160;Z &#209;&           > A0 5A 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000126D10C6360, 16 bytes long.
 Data: <xZ &#209;&           > 78 5A 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000126D10BFE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000126D10C5F00, 16 bytes long.
 Data: <PZ &#209;&           > 50 5A 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000126D10BF950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000126D10C6450, 16 bytes long.
 Data: < Y &#209;&           > 98 59 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000126D10C6400, 16 bytes long.
 Data: <pY &#209;&           > 70 59 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000126D10C65E0, 16 bytes long.
 Data: <HY &#209;&           > 48 59 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000126D10C5EB0, 16 bytes long.
 Data: < Y &#209;&           > 20 59 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000126D10C6AE0, 16 bytes long.
 Data: <&#248;X &#209;&           > F8 58 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000126D10BDF70, 16 bytes long.
 Data: <&#208;X &#209;&           > D0 58 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000126D10BDC50, 16 bytes long.
 Data: <   &#209;&           > 90 02 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000126D10C0290, 40 bytes long.
 Data: <P&#220; &#209;&   &#224;i&#217;&#210;&   > 50 DC 0B D1 26 01 00 00 E0 69 D9 D2 26 01 00 00 
{266} normal block at 0x00000126D10BE2E0, 16 bytes long.
 Data: <&#176;X &#209;&           > B0 58 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000126D10BDCA0, 16 bytes long.
 Data: < X &#209;&           > 88 58 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000126D10BF8F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000126D10BDE80, 16 bytes long.
 Data: <`X &#209;&           > 60 58 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000126D10C5860, 992 bytes long.
 Data: < &#222; &#209;&   &#240;&#248; &#209;&   > 80 DE 0B D1 26 01 00 00 F0 F8 0B D1 26 01 00 00 
{98} normal block at 0x00000126D10BFA10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000126D10BDD40, 16 bytes long.
 Data: <@  &#209;&           > 40 01 0C D1 26 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000126D10C0140, 40 bytes long.
 Data: <@&#221; &#209;&    &#250; &#209;&   > 40 DD 0B D1 26 01 00 00 10 FA 0B D1 26 01 00 00 
{75} normal block at 0x00000126D10BE100, 16 bytes long.
 Data: < &#234;&#145;&#190;&#246;           > 80 EA 91 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000126D10BD890, 16 bytes long.
 Data: <@&#233;&#145;&#190;&#246;           > 40 E9 91 BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000126D10BD980, 16 bytes long.
 Data: <&#248;W&#142;&#190;&#246;           > F8 57 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000126D10BD4D0, 16 bytes long.
 Data: <&#216;W&#142;&#190;&#246;           > D8 57 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000126D10BD840, 16 bytes long.
 Data: <P &#142;&#190;&#246;           > 50 04 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000126D10BDF20, 16 bytes long.
 Data: <0 &#142;&#190;&#246;           > 30 04 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000126D10BD930, 16 bytes long.
 Data: <&#224; &#142;&#190;&#246;           > E0 02 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000126D10BE290, 16 bytes long.
 Data: <  &#142;&#190;&#246;           > 10 04 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000126D10BD7F0, 16 bytes long.
 Data: <p &#142;&#190;&#246;           > 70 04 8E BE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000126D10BE0B0, 16 bytes long.
 Data: < &#192;&#140;&#190;&#246;           > 18 C0 8C BE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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