Task 38663002

Name test_738-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3883_0
Workunit 31606234
Created 24 Oct 2026, 21:10:23 UTC
Sent 24 Oct 2026, 21:10:55 UTC
Report deadline 29 Oct 2026, 21:10:55 UTC
Received 24 Oct 2026, 22:06:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631132
Run time 27 min 18 sec
CPU time 25 min 2 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 670.97 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:39:39 (17448): wrapper (7.9.26016): starting
06:39:39 (17448): 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
06:39:40 (17448): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:39:40 (17448): 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\16\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\16\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
07:06:04 (17448): C:/Windows/system32/cmd.exe exited; CPU time 1502.015625
07:06:04 (17448): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27609271 bytes.
Dumping objects ->
{3835523} normal block at 0x000002B27AFCC500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x000002B27AFCCB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000002B27AFCCFF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835490} normal block at 0x000002B27AFCCE30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002B279094D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835448} normal block at 0x000002B27B01AD80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000002B27B0731D0, 180 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) : {3835434} normal block at 0x000002B27908EDC0, 8 bytes long.
 Data: <  Qy&#178;   > 00 00 51 79 B2 02 00 00 
{3834732} normal block at 0x000002B27B072B40, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x000002B27908F1D0, 8 bytes long.
 Data: <&#176;A {&#178;   > B0 41 07 7B B2 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B279090750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B279086960, 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 0x000002B279095C10, 16 bytes long.
 Data: <hh	y&#178;           > 68 68 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B279095850, 16 bytes long.
 Data: <@h	y&#178;           > 40 68 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B27908FFE0, 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 0x000002B2790961B0, 16 bytes long.
 Data: < h	y&#178;           > 18 68 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B279095DF0, 16 bytes long.
 Data: < g	y&#178;           > F0 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B279095760, 16 bytes long.
 Data: <&#200;g	y&#178;           > C8 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B2790960C0, 16 bytes long.
 Data: < g	y&#178;           > A0 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B279094770, 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 0x000002B279095B20, 16 bytes long.
 Data: <x&#181; y&#178;           > 78 B5 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B27908F980, 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 0x000002B279095B70, 16 bytes long.
 Data: <P&#181; y&#178;           > 50 B5 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B279095620, 16 bytes long.
 Data: <(&#181; y&#178;           > 28 B5 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B279095710, 16 bytes long.
 Data: < &#181; y&#178;           > 00 B5 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B279095F30, 16 bytes long.
 Data: <&#216;&#180; y&#178;           > D8 B4 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B279096110, 16 bytes long.
 Data: <&#176;&#180; y&#178;           > B0 B4 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B2790964D0, 16 bytes long.
 Data: < &#180; y&#178;           > 88 B4 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B27908F920, 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 0x000002B2790963E0, 16 bytes long.
 Data: <`&#180; y&#178;           > 60 B4 07 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B27907B460, 320 bytes long.
 Data: < c	y&#178;      y&#178;   > E0 63 09 79 B2 02 00 00 20 F9 08 79 B2 02 00 00 
{276} normal block at 0x000002B2790957B0, 16 bytes long.
 Data: < g	y&#178;           > 80 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B2790956C0, 16 bytes long.
 Data: <Xg	y&#178;           > 58 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B279090100, 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 0x000002B279095D00, 16 bytes long.
 Data: <0g	y&#178;           > 30 67 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B2790903A0, 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 0x000002B279096070, 16 bytes long.
 Data: <xf	y&#178;           > 78 66 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B279095580, 16 bytes long.
 Data: <Pf	y&#178;           > 50 66 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B279095CB0, 16 bytes long.
 Data: <(f	y&#178;           > 28 66 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B279095670, 16 bytes long.
 Data: < f	y&#178;           > 00 66 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B279095DA0, 16 bytes long.
 Data: <&#216;e	y&#178;           > D8 65 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B279095AD0, 16 bytes long.
 Data: <&#176;e	y&#178;           > B0 65 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B279095C60, 16 bytes long.
 Data: < J	y&#178;           > 10 4A 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B279094A10, 40 bytes long.
 Data: <`\	y&#178;    &#173; {&#178;   > 60 5C 09 79 B2 02 00 00 80 AD 01 7B B2 02 00 00 
{262} normal block at 0x000002B279096340, 16 bytes long.
 Data: < e	y&#178;           > 90 65 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B279096160, 16 bytes long.
 Data: <he	y&#178;           > 68 65 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B27908FD40, 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 0x000002B2790955D0, 16 bytes long.
 Data: <@e	y&#178;           > 40 65 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B279096540, 992 bytes long.
 Data: <&#208;U	y&#178;   @  y&#178;   > D0 55 09 79 B2 02 00 00 40 FD 08 79 B2 02 00 00 
{94} normal block at 0x000002B27908F7A0, 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 0x000002B27908EE10, 16 bytes long.
 Data: < F	y&#178;           > 90 46 09 79 B2 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B279094690, 40 bytes long.
 Data: <   y&#178;      y&#178;   > 10 EE 08 79 B2 02 00 00 A0 F7 08 79 B2 02 00 00 
{69} normal block at 0x000002B27908EA50, 16 bytes long.
 Data: <   &#166;            > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B27908F180, 16 bytes long.
 Data: <@  &#166;            > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B27908EC80, 16 bytes long.
 Data: < W &#166;            > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B27908E780, 16 bytes long.
 Data: <&#216;W &#166;            > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B27908EAA0, 16 bytes long.
 Data: <P  &#166;            > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B27908F2C0, 16 bytes long.
 Data: <0  &#166;            > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B27908E960, 16 bytes long.
 Data: <   &#166;            > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B27908E820, 16 bytes long.
 Data: <   &#166;            > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B27908F220, 16 bytes long.
 Data: <p  &#166;            > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B27908F130, 16 bytes long.
 Data: < &#192; &#166;            > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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