Task 38688089

Name test_615-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3410_0
Workunit 31629458
Created 28 Oct 2026, 11:35:23 UTC
Sent 28 Oct 2026, 11:35:28 UTC
Report deadline 2 Nov 2026, 11:35:28 UTC
Received 28 Oct 2026, 12:42:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 43 min 2 sec
CPU time 42 min 5 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 668.80 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>
12:58:42 (14840): wrapper (7.9.26016): starting
12:58:42 (14840): 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
12:58:44 (14840): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:58:44 (14840): 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
13:41:11 (14840): C:/Windows/system32/cmd.exe exited; CPU time 2525.343750
13:41:11 (14840): 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: 35611597 bytes.
Dumping objects ->
{3835361} normal block at 0x00000270DABC0D10, 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 0x00000270DABC08B0, 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 0x00000270DABC1090, 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 0x00000270DABC07D0, 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 0x00000270DABC0B50, 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 0x00000270DAC6BF90, 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 0x00000270DABF26A0, 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 0x00000270D91369B0, 8 bytes long.
 Data: <   &#217;p   > 00 00 10 D9 70 02 00 00 
{3834603} normal block at 0x00000270DABF1CE0, 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 0x00000270D9137360, 8 bytes long.
 Data: <&#208; &#191;&#218;p   > D0 10 BF DA 70 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000270D91419D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000270D9126020, 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 0x00000270D9143640, 16 bytes long.
 Data: <x@ &#217;p           > 78 40 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000270D9143550, 16 bytes long.
 Data: <P@ &#217;p           > 50 40 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000270D913C630, 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 0x00000270D9142F10, 16 bytes long.
 Data: <(@ &#217;p           > 28 40 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000270D9142BF0, 16 bytes long.
 Data: < @ &#217;p           > 00 40 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000270D9142AB0, 16 bytes long.
 Data: <&#216;? &#217;p           > D8 3F 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000270D91430A0, 16 bytes long.
 Data: <&#176;? &#217;p           > B0 3F 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000270D913D560, 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 0x00000270D9142EC0, 16 bytes long.
 Data: <&#184;_ &#217;p           > B8 5F 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000270D913B910, 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 0x00000270D9143500, 16 bytes long.
 Data: < _ &#217;p           > 90 5F 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000270D9143050, 16 bytes long.
 Data: <h_ &#217;p           > 68 5F 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000270D9142B50, 16 bytes long.
 Data: <@_ &#217;p           > 40 5F 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000270D9143000, 16 bytes long.
 Data: < _ &#217;p           > 18 5F 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000270D91429C0, 16 bytes long.
 Data: <&#240;^ &#217;p           > F0 5E 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000270D9143280, 16 bytes long.
 Data: <&#200;^ &#217;p           > C8 5E 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000270D913BAF0, 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 0x00000270D91427E0, 16 bytes long.
 Data: <&#160;^ &#217;p           > A0 5E 12 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000270D9125EA0, 320 bytes long.
 Data: <&#224;' &#217;p   &#240;&#186; &#217;p   > E0 27 14 D9 70 02 00 00 F0 BA 13 D9 70 02 00 00 
{271} normal block at 0x00000270D9142FB0, 16 bytes long.
 Data: < ? &#217;p           > 90 3F 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000270D91434B0, 16 bytes long.
 Data: <h? &#217;p           > 68 3F 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000270D913BEB0, 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 0x00000270D9143460, 16 bytes long.
 Data: <@? &#217;p           > 40 3F 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000270D913BA90, 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 0x00000270D9143230, 16 bytes long.
 Data: < > &#217;p           > 88 3E 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000270D91435F0, 16 bytes long.
 Data: <`> &#217;p           > 60 3E 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000270D91433C0, 16 bytes long.
 Data: <8> &#217;p           > 38 3E 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000270D9142C90, 16 bytes long.
 Data: < > &#217;p           > 10 3E 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000270D9142DD0, 16 bytes long.
 Data: <&#232;= &#217;p           > E8 3D 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000270D9142E70, 16 bytes long.
 Data: <&#192;= &#217;p           > C0 3D 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000270D9142E20, 16 bytes long.
 Data: < &#212; &#217;p           > 10 D4 13 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000270D913D410, 40 bytes long.
 Data: < . &#217;p    &#191;&#198;&#218;p   > 20 2E 14 D9 70 02 00 00 90 BF C6 DA 70 02 00 00 
{257} normal block at 0x00000270D9142F60, 16 bytes long.
 Data: <&#160;= &#217;p           > A0 3D 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000270D91430F0, 16 bytes long.
 Data: <x= &#217;p           > 78 3D 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000270D913BD30, 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 0x00000270D9142920, 16 bytes long.
 Data: <P= &#217;p           > 50 3D 14 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000270D9143D50, 992 bytes long.
 Data: < ) &#217;p   0&#189; &#217;p   > 20 29 14 D9 70 02 00 00 30 BD 13 D9 70 02 00 00 
{89} normal block at 0x00000270D913C0F0, 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 0x00000270D9136870, 16 bytes long.
 Data: <p&#216; &#217;p           > 70 D8 13 D9 70 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000270D913D870, 40 bytes long.
 Data: <ph &#217;p   &#240;&#192; &#217;p   > 70 68 13 D9 70 02 00 00 F0 C0 13 D9 70 02 00 00 
{66} normal block at 0x00000270D9137630, 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 0x00000270D9136AA0, 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 0x00000270D9137310, 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 0x00000270D91375E0, 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 0x00000270D9136B90, 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 0x00000270D91372C0, 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 0x00000270D91374A0, 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 0x00000270D9136F00, 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 0x00000270D91371D0, 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 0x00000270D9136B40, 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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