Task 38681157

Name test_162-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND7483_0
Workunit 31622838
Created 27 Oct 2026, 2:56:22 UTC
Sent 27 Oct 2026, 2:56:22 UTC
Report deadline 1 Nov 2026, 2:56:22 UTC
Received 27 Oct 2026, 3:43:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 45 min 34 sec
CPU time 43 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.68 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:57:53 (14820): wrapper (7.9.26016): starting
22:57:53 (14820): 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
22:58:09 (14820): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:58:09 (14820): 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 'P:\BOINC\data\slots\1\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 'P:\BOINC\data\slots\1\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: Exiting with failure status due to previous errors
23:43:00 (14820): C:/Windows/system32/cmd.exe exited; CPU time 2603.265625
23:43:00 (14820): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35629929 bytes.
Dumping objects ->
{3835191} normal block at 0x0000027DD09364F0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x0000027DD2574690, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x0000027DD2574AB0, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x0000027DD2574B70, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x0000027DD2574E70, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x0000027DD0936090, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x0000027DD0907590, 8 bytes long.
 Data: <  .&#210;}   > 00 00 2E D2 7D 02 00 00 
{3833953} normal block at 0x0000027DD0907270, 8 bytes long.
 Data: <&#192;m&#149;&#208;}   > C0 6D 95 D0 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027DD09102D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027DD08FA780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000027DD09117C0, 16 bytes long.
 Data: < 9&#145;&#208;}           > 18 39 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027DD09120D0, 16 bytes long.
 Data: <&#240;8&#145;&#208;}           > F0 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027DD090CB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000027DD09119A0, 16 bytes long.
 Data: <&#200;8&#145;&#208;}           > C8 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027DD0911860, 16 bytes long.
 Data: <&#160;8&#145;&#208;}           > A0 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027DD0911270, 16 bytes long.
 Data: <x8&#145;&#208;}           > 78 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027DD0911EA0, 16 bytes long.
 Data: <P8&#145;&#208;}           > 50 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027DD090B570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000027DD0911220, 16 bytes long.
 Data: < &#198; &#208;}           > 98 C6 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027DD090D4D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000027DD0912080, 16 bytes long.
 Data: <p&#198; &#208;}           > 70 C6 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027DD0911770, 16 bytes long.
 Data: <H&#198; &#208;}           > 48 C6 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027DD0911CC0, 16 bytes long.
 Data: < &#198; &#208;}           > 20 C6 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027DD0911A90, 16 bytes long.
 Data: <&#248;&#197; &#208;}           > F8 C5 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027DD09114F0, 16 bytes long.
 Data: <&#208;&#197; &#208;}           > D0 C5 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027DD0911450, 16 bytes long.
 Data: <&#168;&#197; &#208;}           > A8 C5 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027DD090CC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000027DD0911AE0, 16 bytes long.
 Data: < &#197; &#208;}           > 80 C5 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027DD090C580, 320 bytes long.
 Data: <&#224; &#145;&#208;}    &#204; &#208;}   > E0 1A 91 D0 7D 02 00 00 90 CC 90 D0 7D 02 00 00 
{272} normal block at 0x0000027DD0911EF0, 16 bytes long.
 Data: <08&#145;&#208;}           > 30 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027DD0911400, 16 bytes long.
 Data: < 8&#145;&#208;}           > 08 38 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027DD090D470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000027DD0911A40, 16 bytes long.
 Data: <&#224;7&#145;&#208;}           > E0 37 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027DD090D110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000027DD0911680, 16 bytes long.
 Data: <(7&#145;&#208;}           > 28 37 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027DD0912030, 16 bytes long.
 Data: < 7&#145;&#208;}           > 00 37 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027DD09119F0, 16 bytes long.
 Data: <&#216;6&#145;&#208;}           > D8 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027DD09115E0, 16 bytes long.
 Data: <&#176;6&#145;&#208;}           > B0 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027DD0911720, 16 bytes long.
 Data: < 6&#145;&#208;}           > 88 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027DD0911E50, 16 bytes long.
 Data: <`6&#145;&#208;}           > 60 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027DD0911590, 16 bytes long.
 Data: <`&#185; &#208;}           > 60 B9 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027DD090B960, 40 bytes long.
 Data: <  &#145;&#208;}    `&#147;&#208;}   > 90 15 91 D0 7D 02 00 00 90 60 93 D0 7D 02 00 00 
{258} normal block at 0x0000027DD0911E00, 16 bytes long.
 Data: <@6&#145;&#208;}           > 40 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027DD0911D60, 16 bytes long.
 Data: < 6&#145;&#208;}           > 18 36 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027DD090D0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000027DD0911C70, 16 bytes long.
 Data: <&#240;5&#145;&#208;}           > F0 35 91 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027DD09135F0, 992 bytes long.
 Data: <p &#145;&#208;}   &#176;&#208; &#208;}   > 70 1C 91 D0 7D 02 00 00 B0 D0 90 D0 7D 02 00 00 
{90} normal block at 0x0000027DD090CE10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000027DD09074A0, 16 bytes long.
 Data: < &#184; &#208;}           > 80 B8 90 D0 7D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000027DD090B880, 40 bytes long.
 Data: <&#160;t &#208;}    &#206; &#208;}   > A0 74 90 D0 7D 02 00 00 10 CE 90 D0 7D 02 00 00 
{67} normal block at 0x0000027DD0907450, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027DD0906F50, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027DD09067D0, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027DD0906BE0, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027DD0906A00, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027DD0907360, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027DD0907130, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027DD0906B90, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027DD0907180, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027DD0906F00, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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