Task 38686155

Name test_219-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5472_0
Workunit 31627595
Created 28 Oct 2026, 0:58:52 UTC
Sent 28 Oct 2026, 0:58:54 UTC
Report deadline 2 Nov 2026, 0:58:54 UTC
Received 28 Oct 2026, 3:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 44 min 17 sec
CPU time 42 min 58 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 671.63 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>
03:31:29 (12928): wrapper (7.9.26016): starting
03:31:29 (12928): 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
03:31:31 (12928): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:31:31 (12928): 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
04:15:36 (12928): C:/Windows/system32/cmd.exe exited; CPU time 2578.156250
04:15:36 (12928): 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: 36747139 bytes.
Dumping objects ->
{3835361} normal block at 0x0000024A15871480, 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 0x0000024A15870840, 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 0x0000024A158714F0, 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 0x0000024A15870C30, 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 0x0000024A15870B50, 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 0x0000024A1593C810, 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 0x0000024A159E23E0, 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 0x0000024A13DE7210, 8 bytes long.
 Data: <    J   > 00 00 88 15 4A 02 00 00 
{3834603} normal block at 0x0000024A159E2E70, 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 0x0000024A13DE6D10, 8 bytes long.
 Data: < S&#140; J   > 90 53 8C 15 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024A13DF1A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024A13DD6020, 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 0x0000024A13DF2A00, 16 bytes long.
 Data: < ?&#223; J           > 08 3F DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024A13DF2820, 16 bytes long.
 Data: <&#224;>&#223; J           > E0 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024A13DEBE30, 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 0x0000024A13DF3590, 16 bytes long.
 Data: <&#184;>&#223; J           > B8 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024A13DF3630, 16 bytes long.
 Data: < >&#223; J           > 90 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024A13DF2FF0, 16 bytes long.
 Data: <h>&#223; J           > 68 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024A13DF34F0, 16 bytes long.
 Data: <@>&#223; J           > 40 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024A13DED680, 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 0x0000024A13DF2C80, 16 bytes long.
 Data: <&#184;_&#221; J           > B8 5F DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024A13DEC2B0, 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 0x0000024A13DF28C0, 16 bytes long.
 Data: < _&#221; J           > 90 5F DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024A13DF2F00, 16 bytes long.
 Data: <h_&#221; J           > 68 5F DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024A13DF2FA0, 16 bytes long.
 Data: <@_&#221; J           > 40 5F DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024A13DF2CD0, 16 bytes long.
 Data: < _&#221; J           > 18 5F DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024A13DF34A0, 16 bytes long.
 Data: <&#240;^&#221; J           > F0 5E DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024A13DF35E0, 16 bytes long.
 Data: <&#200;^&#221; J           > C8 5E DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024A13DEB8F0, 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 0x0000024A13DF2E60, 16 bytes long.
 Data: <&#160;^&#221; J           > A0 5E DD 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024A13DD5EA0, 320 bytes long.
 Data: <`.&#223; J   &#240;&#184;&#222; J   > 60 2E DF 13 4A 02 00 00 F0 B8 DE 13 4A 02 00 00 
{271} normal block at 0x0000024A13DF2EB0, 16 bytes long.
 Data: < >&#223; J           > 20 3E DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024A13DF2D70, 16 bytes long.
 Data: <&#248;=&#223; J           > F8 3D DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024A13DEB890, 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 0x0000024A13DF3540, 16 bytes long.
 Data: <&#208;=&#223; J           > D0 3D DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024A13DEBD10, 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 0x0000024A13DF2E10, 16 bytes long.
 Data: < =&#223; J           > 18 3D DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024A13DF31D0, 16 bytes long.
 Data: <&#240;<&#223; J           > F0 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024A13DF3450, 16 bytes long.
 Data: <&#200;<&#223; J           > C8 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024A13DF3180, 16 bytes long.
 Data: <&#160;<&#223; J           > A0 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024A13DF2C30, 16 bytes long.
 Data: <x<&#223; J           > 78 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024A13DF3270, 16 bytes long.
 Data: <P<&#223; J           > 50 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024A13DF3360, 16 bytes long.
 Data: <P&#212;&#222; J           > 50 D4 DE 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024A13DED450, 40 bytes long.
 Data: <`3&#223; J    &#200;&#147; J   > 60 33 DF 13 4A 02 00 00 10 C8 93 15 4A 02 00 00 
{257} normal block at 0x0000024A13DF2DC0, 16 bytes long.
 Data: <0<&#223; J           > 30 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024A13DF36D0, 16 bytes long.
 Data: < <&#223; J           > 08 3C DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024A13DEB830, 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 0x0000024A13DF3220, 16 bytes long.
 Data: <&#224;;&#223; J           > E0 3B DF 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024A13DF3BE0, 992 bytes long.
 Data: < 2&#223; J   0&#184;&#222; J   > 20 32 DF 13 4A 02 00 00 30 B8 DE 13 4A 02 00 00 
{89} normal block at 0x0000024A13DEC670, 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 0x0000024A13DE6EA0, 16 bytes long.
 Data: < &#214;&#222; J           > 10 D6 DE 13 4A 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000024A13DED610, 40 bytes long.
 Data: <&#160;n&#222; J   p&#198;&#222; J   > A0 6E DE 13 4A 02 00 00 70 C6 DE 13 4A 02 00 00 
{66} normal block at 0x0000024A13DE68B0, 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 0x0000024A13DE7080, 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 0x0000024A13DE6950, 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 0x0000024A13DE71C0, 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 0x0000024A13DE6B80, 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 0x0000024A13DE6CC0, 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 0x0000024A13DE76C0, 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 0x0000024A13DE6F90, 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 0x0000024A13DE70D0, 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 0x0000024A13DE69A0, 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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