Task 38666527

Name test_731-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND6957_0
Workunit 31609409
Created 25 Oct 2026, 3:40:16 UTC
Sent 25 Oct 2026, 3:50:08 UTC
Report deadline 30 Oct 2026, 3:50:08 UTC
Received 25 Oct 2026, 4:25:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 33 sec
CPU time 24 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.76 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:00:36 (24360): wrapper (7.9.26016): starting
23:00:36 (24360): 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
23:00:37 (24360): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:00:37 (24360): 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
23:25:28 (24360): C:/Windows/system32/cmd.exe exited; CPU time 1485.015625
23:25:28 (24360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23229979 bytes.
Dumping objects ->
{3835550} normal block at 0x00000246BC6E6720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000246BC6E65D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x00000246BC6E69C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x00000246BC6E6B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x00000246BC6E6CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000246BE40DF60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000246BE46F390, 102 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) : {3835461} normal block at 0x00000246BC6DE5C0, 8 bytes long.
 Data: <  i&#188;F   > 00 00 69 BC 46 02 00 00 
{3834683} normal block at 0x00000246BE46EF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000246BC6DDF80, 8 bytes long.
 Data: <0wJ&#190;F   > 30 77 4A BE 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000246BC6E0220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000246BC6D53A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000246BC6E5B00, 16 bytes long.
 Data: < dn&#188;F           > 88 64 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000246BC6E5EC0, 16 bytes long.
 Data: <`dn&#188;F           > 60 64 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000246BC6DEFF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000246BC6E6050, 16 bytes long.
 Data: <8dn&#188;F           > 38 64 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000246BC6E5560, 16 bytes long.
 Data: < dn&#188;F           > 10 64 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000246BC6E5CE0, 16 bytes long.
 Data: <&#232;cn&#188;F           > E8 63 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000246BC6E54C0, 16 bytes long.
 Data: <&#192;cn&#188;F           > C0 63 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000246BC6E6A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000246BC6E5290, 16 bytes long.
 Data: <H&#134;m&#188;F           > 48 86 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000246BC6DF410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000246BC6E5DD0, 16 bytes long.
 Data: < &#134;m&#188;F           > 20 86 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246BC6E5FB0, 16 bytes long.
 Data: <&#248;&#133;m&#188;F           > F8 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000246BC6E5740, 16 bytes long.
 Data: <&#208;&#133;m&#188;F           > D0 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000246BC6E51F0, 16 bytes long.
 Data: <&#168;&#133;m&#188;F           > A8 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000246BC6E5470, 16 bytes long.
 Data: < &#133;m&#188;F           > 80 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000246BC6E5970, 16 bytes long.
 Data: <X&#133;m&#188;F           > 58 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000246BC6DEF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000246BC6E6000, 16 bytes long.
 Data: <0&#133;m&#188;F           > 30 85 6D BC 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000246BC6D8530, 320 bytes long.
 Data: < `n&#188;F    &#239;m&#188;F   > 00 60 6E BC 46 02 00 00 90 EF 6D BC 46 02 00 00 
{273} normal block at 0x00000246BC6E5C90, 16 bytes long.
 Data: <&#160;cn&#188;F           > A0 63 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000246BC6E5E70, 16 bytes long.
 Data: <xcn&#188;F           > 78 63 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246BC6DED50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000246BC6E56A0, 16 bytes long.
 Data: <Pcn&#188;F           > 50 63 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000246BC6DF770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000246BC6E5880, 16 bytes long.
 Data: < bn&#188;F           > 98 62 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000246BC6E5D80, 16 bytes long.
 Data: <pbn&#188;F           > 70 62 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000246BC6E5510, 16 bytes long.
 Data: <Hbn&#188;F           > 48 62 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000246BC6E5650, 16 bytes long.
 Data: < bn&#188;F           > 20 62 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000246BC6E60F0, 16 bytes long.
 Data: <&#248;an&#188;F           > F8 61 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000246BC6E60A0, 16 bytes long.
 Data: <&#208;an&#188;F           > D0 61 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000246BC6E57E0, 16 bytes long.
 Data: < &#227;l&#188;F           > 20 E3 6C BC 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000246BC6CE320, 40 bytes long.
 Data: <&#224;Wn&#188;F   `&#223;@&#190;F   > E0 57 6E BC 46 02 00 00 60 DF 40 BE 46 02 00 00 
{259} normal block at 0x00000246BC6E5F60, 16 bytes long.
 Data: <&#176;an&#188;F           > B0 61 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000246BC6E5C40, 16 bytes long.
 Data: < an&#188;F           > 88 61 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000246BC6DEF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000246BC6E5AB0, 16 bytes long.
 Data: <`an&#188;F           > 60 61 6E BC 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000246BC6E6160, 992 bytes long.
 Data: <&#176;Zn&#188;F   0&#239;m&#188;F   > B0 5A 6E BC 46 02 00 00 30 EF 6D BC 46 02 00 00 
{91} normal block at 0x00000246BC6DECF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000246BC6DE840, 16 bytes long.
 Data: <0&#220;l&#188;F           > 30 DC 6C BC 46 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000246BC6CDC30, 40 bytes long.
 Data: <@&#232;m&#188;F   &#240;&#236;m&#188;F   > 40 E8 6D BC 46 02 00 00 F0 EC 6D BC 46 02 00 00 
{68} normal block at 0x00000246BC6DDD00, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000246BC6DE430, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000246BC6DE3E0, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000246BC6DE930, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000246BC6DE250, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000246BC6DE570, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000246BC6DDBC0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000246BC6DDFD0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000246BC6DDE90, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000246BC6DDE40, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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