Task 38688559

Name test_682-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5687_0
Workunit 31629897
Created 28 Oct 2026, 14:47:28 UTC
Sent 28 Oct 2026, 14:47:32 UTC
Report deadline 2 Nov 2026, 14:47:32 UTC
Received 28 Oct 2026, 16:29:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 47 min 4 sec
CPU time 44 min 46 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 671.39 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>
11:42:19 (1628): wrapper (7.9.26016): starting
11:42:19 (1628): 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
11:42:30 (1628): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:42:30 (1628): 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\5\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\5\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
12:28:52 (1628): C:/Windows/system32/cmd.exe exited; CPU time 2686.859375
12:28:52 (1628): 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: 40787681 bytes.
Dumping objects ->
{3835191} normal block at 0x0000019651666A30, 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 0x00000196531E5070, 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 0x00000196531E4E90, 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 0x00000196531E52B0, 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 0x00000196531E4E30, 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 0x0000019651667130, 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 0x0000019651638090, 8 bytes long.
 Data: <  `Q&#150;   > 00 00 60 51 96 01 00 00 
{3833953} normal block at 0x0000019651637910, 8 bytes long.
 Data: < *"S&#150;   > 10 2A 22 53 96 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019651641000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001965162B880, 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 0x00000196516423B0, 16 bytes long.
 Data: < GdQ&#150;           > 88 47 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019651642270, 16 bytes long.
 Data: <`GdQ&#150;           > 60 47 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001965163E1A0, 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 0x00000196516421D0, 16 bytes long.
 Data: <8GdQ&#150;           > 38 47 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019651642180, 16 bytes long.
 Data: < GdQ&#150;           > 10 47 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019651642680, 16 bytes long.
 Data: <&#232;FdQ&#150;           > E8 46 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000196516422C0, 16 bytes long.
 Data: <&#192;FdQ&#150;           > C0 46 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001965163C0E0, 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 0x0000019651642130, 16 bytes long.
 Data: < &#210;cQ&#150;           > 88 D2 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001965163E020, 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 0x0000019651642720, 16 bytes long.
 Data: <`&#210;cQ&#150;           > 60 D2 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000196516420E0, 16 bytes long.
 Data: <8&#210;cQ&#150;           > 38 D2 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019651642090, 16 bytes long.
 Data: < &#210;cQ&#150;           > 10 D2 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019651642F40, 16 bytes long.
 Data: <&#232;&#209;cQ&#150;           > E8 D1 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019651642EA0, 16 bytes long.
 Data: <&#192;&#209;cQ&#150;           > C0 D1 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019651642E00, 16 bytes long.
 Data: < &#209;cQ&#150;           > 98 D1 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001965163E260, 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 0x0000019651642C70, 16 bytes long.
 Data: <p&#209;cQ&#150;           > 70 D1 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001965163D170, 320 bytes long.
 Data: <p,dQ&#150;   `&#226;cQ&#150;   > 70 2C 64 51 96 01 00 00 60 E2 63 51 96 01 00 00 
{272} normal block at 0x0000019651642B80, 16 bytes long.
 Data: <&#160;FdQ&#150;           > A0 46 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019651642A90, 16 bytes long.
 Data: <xFdQ&#150;           > 78 46 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001965163D8A0, 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 0x0000019651642DB0, 16 bytes long.
 Data: <PFdQ&#150;           > 50 46 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001965163E440, 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 0x0000019651642B30, 16 bytes long.
 Data: < EdQ&#150;           > 98 45 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019651642360, 16 bytes long.
 Data: <pEdQ&#150;           > 70 45 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019651642AE0, 16 bytes long.
 Data: <HEdQ&#150;           > 48 45 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019651642D60, 16 bytes long.
 Data: < EdQ&#150;           > 20 45 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019651642A40, 16 bytes long.
 Data: <&#248;DdQ&#150;           > F8 44 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019651642D10, 16 bytes long.
 Data: <&#208;DdQ&#150;           > D0 44 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000196516429F0, 16 bytes long.
 Data: <p&#192;cQ&#150;           > 70 C0 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001965163C070, 40 bytes long.
 Data: <&#240;)dQ&#150;   0qfQ&#150;   > F0 29 64 51 96 01 00 00 30 71 66 51 96 01 00 00 
{258} normal block at 0x0000019651642CC0, 16 bytes long.
 Data: <&#176;DdQ&#150;           > B0 44 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000196516429A0, 16 bytes long.
 Data: < DdQ&#150;           > 88 44 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001965163DFC0, 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 0x0000019651642220, 16 bytes long.
 Data: <`DdQ&#150;           > 60 44 64 51 96 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019651644460, 992 bytes long.
 Data: < "dQ&#150;   &#192;&#223;cQ&#150;   > 20 22 64 51 96 01 00 00 C0 DF 63 51 96 01 00 00 
{90} normal block at 0x000001965163D780, 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 0x0000019651638180, 16 bytes long.
 Data: <`&#196;cQ&#150;           > 60 C4 63 51 96 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001965163C460, 40 bytes long.
 Data: <  cQ&#150;    &#215;cQ&#150;   > 80 81 63 51 96 01 00 00 80 D7 63 51 96 01 00 00 
{67} normal block at 0x0000019651637370, 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 0x0000019651637FF0, 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 0x0000019651637960, 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 0x0000019651637A50, 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 0x0000019651638270, 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 0x0000019651637EB0, 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 0x0000019651637780, 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 0x0000019651637A00, 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 0x0000019651637550, 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 0x0000019651637730, 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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