Task 38686027

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5899_0
Workunit 31627476
Created 28 Oct 2026, 0:15:04 UTC
Sent 28 Oct 2026, 0:15:08 UTC
Report deadline 2 Nov 2026, 0:15:08 UTC
Received 28 Oct 2026, 3:26:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 2 min 3 sec
CPU time 58 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 640.83 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:24:21 (12272): wrapper (7.9.26016): starting
21:24:21 (12272): 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
21:24:22 (12272): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:24:22 (12272): 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\8\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\8\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
22:25:53 (12272): C:/Windows/system32/cmd.exe exited; CPU time 3533.656250
22:25:53 (12272): 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: 45998123 bytes.
Dumping objects ->
{3835176} normal block at 0x00000137882260E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000013788226070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000137882262A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x0000013788226230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x00000137882256D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x0000013789C1BA40, 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) : {3835088} normal block at 0x00000137881F7670, 8 bytes long.
 Data: <  &#216;&#137;7   > 00 00 D8 89 37 01 00 00 
{3833945} normal block at 0x00000137881F7170, 8 bytes long.
 Data: < k&#199;&#137;7   > 90 6B C7 89 37 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000013788201190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000137881E5A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000013788202DB0, 16 bytes long.
 Data: < 5  7           > 08 35 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013788202FE0, 16 bytes long.
 Data: <&#224;4  7           > E0 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000137881FD230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000013788202AE0, 16 bytes long.
 Data: <&#184;4  7           > B8 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013788202D60, 16 bytes long.
 Data: < 4  7           > 90 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000137882029A0, 16 bytes long.
 Data: <h4  7           > 68 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013788202770, 16 bytes long.
 Data: <@4  7           > 40 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000137881FBB30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000137882028B0, 16 bytes long.
 Data: < &#178;  7           > 88 B2 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000137881FD410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000013788202310, 16 bytes long.
 Data: <`&#178;  7           > 60 B2 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013788202720, 16 bytes long.
 Data: <8&#178;  7           > 38 B2 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013788202810, 16 bytes long.
 Data: < &#178;  7           > 10 B2 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000137882025E0, 16 bytes long.
 Data: <&#232;&#177;  7           > E8 B1 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013788202A40, 16 bytes long.
 Data: <&#192;&#177;  7           > C0 B1 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013788202A90, 16 bytes long.
 Data: < &#177;  7           > 98 B1 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000137881FCED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000137882027C0, 16 bytes long.
 Data: <p&#177;  7           > 70 B1 1E 88 37 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000137881EB170, 320 bytes long.
 Data: <&#192;'  7   &#208;&#206;  7   > C0 27 20 88 37 01 00 00 D0 CE 1F 88 37 01 00 00 
{268} normal block at 0x0000013788203080, 16 bytes long.
 Data: < 4  7           > 20 34 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013788202F40, 16 bytes long.
 Data: <&#248;3  7           > F8 33 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000137881FD770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000013788202590, 16 bytes long.
 Data: <&#208;3  7           > D0 33 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000137881FD4D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000013788202EA0, 16 bytes long.
 Data: < 3  7           > 18 33 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013788202CC0, 16 bytes long.
 Data: <&#240;2  7           > F0 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013788202B80, 16 bytes long.
 Data: <&#200;2  7           > C8 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013788202540, 16 bytes long.
 Data: <&#160;2  7           > A0 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000137882023B0, 16 bytes long.
 Data: <x2  7           > 78 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000137882024F0, 16 bytes long.
 Data: <P2  7           > 50 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013788202D10, 16 bytes long.
 Data: <&#224;&#185;  7           > E0 B9 1F 88 37 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000137881FB9E0, 40 bytes long.
 Data: < -  7   @&#186;&#193;&#137;7   > 10 2D 20 88 37 01 00 00 40 BA C1 89 37 01 00 00 
{254} normal block at 0x0000013788202F90, 16 bytes long.
 Data: <02  7           > 30 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000137882026D0, 16 bytes long.
 Data: < 2  7           > 08 32 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000137881FD5F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000013788202E00, 16 bytes long.
 Data: <&#224;1  7           > E0 31 20 88 37 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000137882031E0, 992 bytes long.
 Data: < .  7   &#240;&#213;  7   > 00 2E 20 88 37 01 00 00 F0 D5 1F 88 37 01 00 00 
{86} normal block at 0x00000137881FD830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000137881F75D0, 16 bytes long.
 Data: < &#184;  7           > 90 B8 1F 88 37 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000137881FB890, 40 bytes long.
 Data: <&#208;u  7   0&#216;  7   > D0 75 1F 88 37 01 00 00 30 D8 1F 88 37 01 00 00 
{63} normal block at 0x00000137881F6B30, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000137881F7030, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000137881F6FE0, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000137881F6EF0, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000137881F7710, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000137881F7120, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000137881F7300, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000137881F7440, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000137881F71C0, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000137881F6F90, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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