Task 38685900

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1008_0
Workunit 31627354
Created 27 Oct 2026, 23:33:54 UTC
Sent 27 Oct 2026, 23:34:08 UTC
Report deadline 1 Nov 2026, 23:34:08 UTC
Received 28 Oct 2026, 2:31:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 44 min 11 sec
CPU time 42 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.29 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
02:46:18 (8956): wrapper (7.9.26016): starting
02:46:18 (8956): 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
02:46:19 (8956): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:46:19 (8956): 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\0\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\0\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
03:30:09 (8956): C:/Windows/system32/cmd.exe exited; CPU time 2571.078125
03:30:09 (8956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 36503435 bytes.
Dumping objects ->
{3835361} normal block at 0x0000013F367012C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000013F36700E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x0000013F36701090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x0000013F36700A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000013F36701410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x0000013F367AC8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000013F34D6DC90, 141 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) : {3835272} normal block at 0x0000013F34C86DF0, 8 bytes long.
 Data: <  &#195;4?   > 00 00 C3 34 3F 01 00 00 
{3834603} normal block at 0x0000013F34D6D7B0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000013F34C875C0, 8 bytes long.
 Data: < &#229;&#214;4?   > 80 E5 D6 34 3F 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000013F34C91870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013F34C76020, 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 0x0000013F34C92B30, 16 bytes long.
 Data: <h=&#201;4?           > 68 3D C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013F34C926D0, 16 bytes long.
 Data: <@=&#201;4?           > 40 3D C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013F34C8BF90, 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 0x0000013F34C92680, 16 bytes long.
 Data: < =&#201;4?           > 18 3D C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013F34C935D0, 16 bytes long.
 Data: <&#240;<&#201;4?           > F0 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013F34C93580, 16 bytes long.
 Data: <&#200;<&#201;4?           > C8 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013F34C92A40, 16 bytes long.
 Data: <&#160;<&#201;4?           > A0 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013F34C8D710, 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 0x0000013F34C92860, 16 bytes long.
 Data: <&#184;_&#199;4?           > B8 5F C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013F34C8BE70, 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 0x0000013F34C92C70, 16 bytes long.
 Data: < _&#199;4?           > 90 5F C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013F34C93490, 16 bytes long.
 Data: <h_&#199;4?           > 68 5F C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013F34C933F0, 16 bytes long.
 Data: <@_&#199;4?           > 40 5F C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013F34C93300, 16 bytes long.
 Data: < _&#199;4?           > 18 5F C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013F34C93210, 16 bytes long.
 Data: <&#240;^&#199;4?           > F0 5E C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013F34C92BD0, 16 bytes long.
 Data: <&#200;^&#199;4?           > C8 5E C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013F34C8B930, 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 0x0000013F34C934E0, 16 bytes long.
 Data: <&#160;^&#199;4?           > A0 5E C7 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013F34C75EA0, 320 bytes long.
 Data: <&#224;4&#201;4?   0&#185;&#200;4?   > E0 34 C9 34 3F 01 00 00 30 B9 C8 34 3F 01 00 00 
{271} normal block at 0x0000013F34C929F0, 16 bytes long.
 Data: < <&#201;4?           > 80 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013F34C93440, 16 bytes long.
 Data: <X<&#201;4?           > 58 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013F34C8B5D0, 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 0x0000013F34C93080, 16 bytes long.
 Data: <0<&#201;4?           > 30 3C C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013F34C8C2F0, 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 0x0000013F34C92D60, 16 bytes long.
 Data: <x;&#201;4?           > 78 3B C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013F34C929A0, 16 bytes long.
 Data: <P;&#201;4?           > 50 3B C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013F34C931C0, 16 bytes long.
 Data: <(;&#201;4?           > 28 3B C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013F34C932B0, 16 bytes long.
 Data: < ;&#201;4?           > 00 3B C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013F34C92D10, 16 bytes long.
 Data: <&#216;:&#201;4?           > D8 3A C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013F34C93120, 16 bytes long.
 Data: <&#176;:&#201;4?           > B0 3A C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013F34C92810, 16 bytes long.
 Data: <&#176;&#210;&#200;4?           > B0 D2 C8 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013F34C8D2B0, 40 bytes long.
 Data: < (&#201;4?   &#176;&#200;z6?   > 10 28 C9 34 3F 01 00 00 B0 C8 7A 36 3F 01 00 00 
{257} normal block at 0x0000013F34C927C0, 16 bytes long.
 Data: < :&#201;4?           > 90 3A C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013F34C93530, 16 bytes long.
 Data: <h:&#201;4?           > 68 3A C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000013F34C8BF30, 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 0x0000013F34C92950, 16 bytes long.
 Data: <@:&#201;4?           > 40 3A C9 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000013F34C93A40, 992 bytes long.
 Data: <P)&#201;4?   0&#191;&#200;4?   > 50 29 C9 34 3F 01 00 00 30 BF C8 34 3F 01 00 00 
{89} normal block at 0x0000013F34C8BDB0, 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 0x0000013F34C86D50, 16 bytes long.
 Data: <&#240;&#215;&#200;4?           > F0 D7 C8 34 3F 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000013F34C8D7F0, 40 bytes long.
 Data: <Pm&#200;4?   &#176;&#189;&#200;4?   > 50 6D C8 34 3F 01 00 00 B0 BD C8 34 3F 01 00 00 
{66} normal block at 0x0000013F34C86A80, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013F34C868F0, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013F34C871B0, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013F34C87340, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013F34C872A0, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013F34C870C0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013F34C87110, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000013F34C87660, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000013F34C87520, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000013F34C86BC0, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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