Task 38695993

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4817_0
Workunit 31636654
Created 31 Oct 2026, 18:01:22 UTC
Sent 31 Oct 2026, 18:01:26 UTC
Report deadline 5 Nov 2026, 18:01:26 UTC
Received 31 Oct 2026, 18:52:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643666
Run time 22 min 35 sec
CPU time 21 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.69 MB
Peak swap size 13.05 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:29:51 (21292): wrapper (7.9.26016): starting
19:29:51 (21292): 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
19:29:52 (21292): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:29:52 (21292): 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 'D:\BOINC\slots\2\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 'D:\BOINC\slots\2\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
19:51:45 (21292): C:/Windows/system32/cmd.exe exited; CPU time 1302.968750
19:51:45 (21292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 20526293 bytes.
Dumping objects ->
{3835573} normal block at 0x00000226D2495580, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835562} normal block at 0x00000226D41718D0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835551} normal block at 0x00000226D4171F90, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835540} normal block at 0x00000226D4171990, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835529} normal block at 0x00000226D4172BF0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835498} normal block at 0x00000226D2495510, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835487} normal block at 0x00000226D248CA50, 200 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) : {3835484} normal block at 0x00000226D2490330, 8 bytes long.
 Data: <  D&#210;&   > 00 00 44 D2 26 02 00 00 
{3834707} normal block at 0x00000226D248B2F0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000226D248FE80, 8 bytes long.
 Data: <&#176;&#170;K&#210;&   > B0 AA 4B D2 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000226D2482260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000226D2481A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000226D2496830, 16 bytes long.
 Data: <&#216;oI&#210;&           > D8 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000226D24964C0, 16 bytes long.
 Data: <&#176;oI&#210;&           > B0 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226D2491970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000226D24963D0, 16 bytes long.
 Data: < oI&#210;&           > 88 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000226D2496240, 16 bytes long.
 Data: <`oI&#210;&           > 60 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000226D2496BA0, 16 bytes long.
 Data: <8oI&#210;&           > 38 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000226D2496330, 16 bytes long.
 Data: < oI&#210;&           > 10 6F 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000226D24953C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000226D2495E30, 16 bytes long.
 Data: <&#248;YI&#210;&           > F8 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000226D2490DD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000226D24961A0, 16 bytes long.
 Data: <&#208;YI&#210;&           > D0 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000226D2496C40, 16 bytes long.
 Data: <&#168;YI&#210;&           > A8 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000226D2495FC0, 16 bytes long.
 Data: < YI&#210;&           > 80 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226D2495DE0, 16 bytes long.
 Data: <XYI&#210;&           > 58 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000226D2496470, 16 bytes long.
 Data: <0YI&#210;&           > 30 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000226D2496650, 16 bytes long.
 Data: < YI&#210;&           > 08 59 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226D2490EF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000226D2496A10, 16 bytes long.
 Data: <&#224;XI&#210;&           > E0 58 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000226D24958E0, 320 bytes long.
 Data: < jI&#210;&   &#240; I&#210;&   > 10 6A 49 D2 26 02 00 00 F0 0E 49 D2 26 02 00 00 
{274} normal block at 0x00000226D2495F70, 16 bytes long.
 Data: <&#240;nI&#210;&           > F0 6E 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000226D2496B00, 16 bytes long.
 Data: <&#200;nI&#210;&           > C8 6E 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226D2491310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000226D2495CF0, 16 bytes long.
 Data: <&#160;nI&#210;&           > A0 6E 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000226D2490D70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000226D2495D40, 16 bytes long.
 Data: <&#232;mI&#210;&           > E8 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226D2496880, 16 bytes long.
 Data: <&#192;mI&#210;&           > C0 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226D2496920, 16 bytes long.
 Data: < mI&#210;&           > 98 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000226D2496420, 16 bytes long.
 Data: <pmI&#210;&           > 70 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000226D24969C0, 16 bytes long.
 Data: <HmI&#210;&           > 48 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000226D2496970, 16 bytes long.
 Data: < mI&#210;&           > 20 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000226D24967E0, 16 bytes long.
 Data: <`VI&#210;&           > 60 56 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226D2495660, 40 bytes long.
 Data: <&#224;gI&#210;&    UI&#210;&   > E0 67 49 D2 26 02 00 00 10 55 49 D2 26 02 00 00 
{260} normal block at 0x00000226D2496600, 16 bytes long.
 Data: < mI&#210;&           > 00 6D 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000226D2496B50, 16 bytes long.
 Data: <&#216;lI&#210;&           > D8 6C 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000226D24913D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000226D2495D90, 16 bytes long.
 Data: <&#176;lI&#210;&           > B0 6C 49 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000226D2496CB0, 992 bytes long.
 Data: < ]I&#210;&   &#208; I&#210;&   > 90 5D 49 D2 26 02 00 00 D0 13 49 D2 26 02 00 00 
{92} normal block at 0x00000226D2491BB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000226D24901F0, 16 bytes long.
 Data: <&#160;&#191;G&#210;&           > A0 BF 47 D2 26 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000226D247BFA0, 40 bytes long.
 Data: <&#240; I&#210;&   &#176; I&#210;&   > F0 01 49 D2 26 02 00 00 B0 1B 49 D2 26 02 00 00 
{69} normal block at 0x00000226D2490830, 16 bytes long.
 Data: < &#234;"&#229;&#247;           > 80 EA 22 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000226D24908D0, 16 bytes long.
 Data: <@&#233;"&#229;&#247;           > 40 E9 22 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000226D24903D0, 16 bytes long.
 Data: <&#248;W &#229;&#247;           > F8 57 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000226D2490970, 16 bytes long.
 Data: <&#216;W &#229;&#247;           > D8 57 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000226D2490920, 16 bytes long.
 Data: <P  &#229;&#247;           > 50 04 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226D2490560, 16 bytes long.
 Data: <0  &#229;&#247;           > 30 04 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226D24907E0, 16 bytes long.
 Data: <&#224;  &#229;&#247;           > E0 02 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000226D2490790, 16 bytes long.
 Data: <   &#229;&#247;           > 10 04 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000226D2490600, 16 bytes long.
 Data: <p  &#229;&#247;           > 70 04 1F E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000226D2490B00, 16 bytes long.
 Data: < &#192; &#229;&#247;           > 18 C0 1D E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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