Task 38685560

Name test_567-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2937_0
Workunit 31627024
Created 27 Oct 2026, 21:42:14 UTC
Sent 27 Oct 2026, 21:42:20 UTC
Report deadline 1 Nov 2026, 21:42:20 UTC
Received 27 Oct 2026, 23:23:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 52 sec
CPU time 34 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.32 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:39:19 (17848): wrapper (7.9.26016): starting
18:39:19 (17848): 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
18:39:20 (17848): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:39:20 (17848): 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\7\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\7\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
19:13:49 (17848): C:/Windows/system32/cmd.exe exited; CPU time 2045.968750
19:13:49 (17848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 35696167 bytes.
Dumping objects ->
{3835185} normal block at 0x0000022710575A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000022710575900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000022710575890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x00000227105759E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000022710575820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x00000227122BB280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835097} normal block at 0x0000022710571380, 8 bytes long.
 Data: <  &#183; '   > 00 00 B7 10 27 02 00 00 
{3833953} normal block at 0x0000022710571CE0, 8 bytes long.
 Data: <&#176;Y4 '   > B0 59 34 12 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002271056F5E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002271055F270, 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 0x0000022710576F30, 16 bytes long.
 Data: <8vW '           > 38 76 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022710576350, 16 bytes long.
 Data: < vW '           > 10 76 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022710571210, 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 0x0000022710576530, 16 bytes long.
 Data: <&#232;uW '           > E8 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000227105771B0, 16 bytes long.
 Data: <&#192;uW '           > C0 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022710576E90, 16 bytes long.
 Data: < uW '           > 98 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022710576B20, 16 bytes long.
 Data: <puW '           > 70 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022710575DD0, 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 0x0000022710576F80, 16 bytes long.
 Data: <8 V '           > 38 9D 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022710570430, 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 0x00000227105764E0, 16 bytes long.
 Data: <  V '           > 10 9D 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022710576AD0, 16 bytes long.
 Data: <&#232;&#156;V '           > E8 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022710576800, 16 bytes long.
 Data: <&#192;&#156;V '           > C0 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000227105772A0, 16 bytes long.
 Data: < &#156;V '           > 98 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022710577200, 16 bytes long.
 Data: <p&#156;V '           > 70 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022710576490, 16 bytes long.
 Data: <H&#156;V '           > 48 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022710571150, 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 0x0000022710576DF0, 16 bytes long.
 Data: < &#156;V '           > 20 9C 56 10 27 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022710569C20, 320 bytes long.
 Data: <&#240;mW '   P W '   > F0 6D 57 10 27 02 00 00 50 11 57 10 27 02 00 00 
{272} normal block at 0x0000022710576A80, 16 bytes long.
 Data: <PuW '           > 50 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022710577160, 16 bytes long.
 Data: <(uW '           > 28 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022710570F70, 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 0x00000227105763F0, 16 bytes long.
 Data: < uW '           > 00 75 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000227105704F0, 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 0x0000022710576620, 16 bytes long.
 Data: <HtW '           > 48 74 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022710576A30, 16 bytes long.
 Data: < tW '           > 20 74 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000227105767B0, 16 bytes long.
 Data: <&#248;sW '           > F8 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022710576E40, 16 bytes long.
 Data: <&#208;sW '           > D0 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022710577110, 16 bytes long.
 Data: <&#168;sW '           > A8 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022710576440, 16 bytes long.
 Data: < sW '           > 80 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022710577250, 16 bytes long.
 Data: < \W '           > 80 5C 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022710575C80, 40 bytes long.
 Data: <PrW '    &#178;+ '   > 50 72 57 10 27 02 00 00 80 B2 2B 12 27 02 00 00 
{258} normal block at 0x00000227105768A0, 16 bytes long.
 Data: <`sW '           > 60 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000227105765D0, 16 bytes long.
 Data: <8sW '           > 38 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022710570610, 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 0x00000227105770C0, 16 bytes long.
 Data: < sW '           > 10 73 57 10 27 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022710577310, 992 bytes long.
 Data: <&#192;pW '     W '   > C0 70 57 10 27 02 00 00 10 06 57 10 27 02 00 00 
{90} normal block at 0x00000227105705B0, 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 0x0000022710571510, 16 bytes long.
 Data: <&#240;&#183;U '           > F0 B7 55 10 27 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002271055B7F0, 40 bytes long.
 Data: <  W '   &#176; W '   > 10 15 57 10 27 02 00 00 B0 05 57 10 27 02 00 00 
{67} normal block at 0x00000227105716A0, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000227105722D0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000227105717E0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022710571B50, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022710572280, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000227105715B0, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022710571AB0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022710571470, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022710571BF0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022710571BA0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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