Task 38674692

Name test_399-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND4608_0
Workunit 31616719
Created 26 Oct 2026, 6:03:56 UTC
Sent 26 Oct 2026, 6:04:03 UTC
Report deadline 31 Oct 2026, 6:04:03 UTC
Received 26 Oct 2026, 6:24:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 19 min 2 sec
CPU time 17 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.32 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:05:10 (12408): wrapper (7.9.26016): starting
07:05:10 (12408): 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
07:05:11 (12408): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:05:11 (12408): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
07:23:27 (12408): C:/Windows/system32/cmd.exe exited; CPU time 1054.453125
07:23:27 (12408): 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: 16635945 bytes.
Dumping objects ->
{3835187} normal block at 0x0000023E38A79020, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x0000023E3A8535F0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x0000023E3A853350, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x0000023E3A8530B0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x0000023E3A853890, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x0000023E38A78ED0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x0000023E38A71070, 8 bytes long.
 Data: <  &#160;8>   > 00 00 A0 38 3E 02 00 00 
{3833951} normal block at 0x0000023E38A70760, 8 bytes long.
 Data: < t&#167;8>   > 00 74 A7 38 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023E38A74B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023E38A690F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000023E38A783E0, 16 bytes long.
 Data: < &#141;&#167;8>           > 18 8D A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023E38A78700, 16 bytes long.
 Data: <&#240;&#140;&#167;8>           > F0 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023E38A721F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000023E38A77CB0, 16 bytes long.
 Data: <&#200;&#140;&#167;8>           > C8 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023E38A78930, 16 bytes long.
 Data: <&#160;&#140;&#167;8>           > A0 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023E38A78200, 16 bytes long.
 Data: <x&#140;&#167;8>           > 78 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023E38A78660, 16 bytes long.
 Data: <P&#140;&#167;8>           > 50 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023E38A79410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000023E38A78890, 16 bytes long.
 Data: <H	&#166;8>           > 48 09 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023E38A725B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000023E38A788E0, 16 bytes long.
 Data: < 	&#166;8>           > 20 09 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023E38A78390, 16 bytes long.
 Data: <&#248; &#166;8>           > F8 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023E38A77E40, 16 bytes long.
 Data: <&#208; &#166;8>           > D0 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023E38A782A0, 16 bytes long.
 Data: <&#168; &#166;8>           > A8 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023E38A786B0, 16 bytes long.
 Data: <  &#166;8>           > 80 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023E38A781B0, 16 bytes long.
 Data: <X &#166;8>           > 58 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023E38A727F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000023E38A784D0, 16 bytes long.
 Data: <0 &#166;8>           > 30 08 A6 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023E38A60830, 320 bytes long.
 Data: <&#208;&#132;&#167;8>   &#240;'&#167;8>   > D0 84 A7 38 3E 02 00 00 F0 27 A7 38 3E 02 00 00 
{271} normal block at 0x0000023E38A77EE0, 16 bytes long.
 Data: <0&#140;&#167;8>           > 30 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023E38A782F0, 16 bytes long.
 Data: < &#140;&#167;8>           > 08 8C A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023E38A72970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000023E38A78520, 16 bytes long.
 Data: <&#224;&#139;&#167;8>           > E0 8B A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023E38A71F50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000023E38A77D00, 16 bytes long.
 Data: <(&#139;&#167;8>           > 28 8B A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023E38A78340, 16 bytes long.
 Data: < &#139;&#167;8>           > 00 8B A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023E38A77DF0, 16 bytes long.
 Data: <&#216;&#138;&#167;8>           > D8 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023E38A77BC0, 16 bytes long.
 Data: <&#176;&#138;&#167;8>           > B0 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023E38A78160, 16 bytes long.
 Data: < &#138;&#167;8>           > 88 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023E38A77E90, 16 bytes long.
 Data: <`&#138;&#167;8>           > 60 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023E38A78250, 16 bytes long.
 Data: <&#208;&#197;&#165;8>           > D0 C5 A5 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023E38A5C5D0, 40 bytes long.
 Data: <P&#130;&#167;8>   &#208;&#142;&#167;8>   > 50 82 A7 38 3E 02 00 00 D0 8E A7 38 3E 02 00 00 
{257} normal block at 0x0000023E38A78480, 16 bytes long.
 Data: <@&#138;&#167;8>           > 40 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023E38A78070, 16 bytes long.
 Data: < &#138;&#167;8>           > 18 8A A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023E38A72070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000023E38A787A0, 16 bytes long.
 Data: <&#240;&#137;&#167;8>           > F0 89 A7 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023E38A789F0, 992 bytes long.
 Data: <&#160;&#135;&#167;8>   p &#167;8>   > A0 87 A7 38 3E 02 00 00 70 20 A7 38 3E 02 00 00 
{89} normal block at 0x0000023E38A71E90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000023E38A70300, 16 bytes long.
 Data: < &#215;&#165;8>           > 20 D7 A5 38 3E 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000023E38A5D720, 40 bytes long.
 Data: <  &#167;8>     &#167;8>   > 00 03 A7 38 3E 02 00 00 90 1E A7 38 3E 02 00 00 
{66} normal block at 0x0000023E38A71020, 16 bytes long.
 Data: < &#234;uC&#246;           > 80 EA 75 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023E38A708F0, 16 bytes long.
 Data: <@&#233;uC&#246;           > 40 E9 75 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023E38A703F0, 16 bytes long.
 Data: <&#248;WrC&#246;           > F8 57 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023E38A70710, 16 bytes long.
 Data: <&#216;WrC&#246;           > D8 57 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023E38A70F30, 16 bytes long.
 Data: <P rC&#246;           > 50 04 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023E38A705D0, 16 bytes long.
 Data: <0 rC&#246;           > 30 04 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023E38A704E0, 16 bytes long.
 Data: <&#224; rC&#246;           > E0 02 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023E38A70B70, 16 bytes long.
 Data: <  rC&#246;           > 10 04 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023E38A702B0, 16 bytes long.
 Data: <p rC&#246;           > 70 04 72 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023E38A70350, 16 bytes long.
 Data: < &#192;pC&#246;           > 18 C0 70 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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