Task 38678080

Name test_362-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6100_0
Workunit 31619922
Created 26 Oct 2026, 16:19:09 UTC
Sent 26 Oct 2026, 16:19:13 UTC
Report deadline 31 Oct 2026, 16:19:13 UTC
Received 26 Oct 2026, 18:02:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 13 min 48 sec
CPU time 1 hours 6 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.82 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:49:52 (2104): wrapper (7.9.26016): starting
09:49:52 (2104): 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
09:50:00 (2104): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:50:00 (2104): 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
11:02:07 (2104): C:/Windows/system32/cmd.exe exited; CPU time 4019.218750
11:02:07 (2104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 68569269 bytes.
Dumping objects ->
{3835449} normal block at 0x0000013CBA0F6020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000013CB84B5B60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000013CB84B5AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000013CB84B5C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000013CB84B5D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000013CBA0FE7B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000013CB850DCB0, 140 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) : {3835360} normal block at 0x0000013CB84AF340, 8 bytes long.
 Data: <  G&#184;<   > 00 00 47 B8 3C 01 00 00 
{3834646} normal block at 0x0000013CB850E810, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000013CB84AF2F0, 8 bytes long.
 Data: <&#240;&#162; &#186;<   > F0 A2 19 BA 3C 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000013CB84B0120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013CB84A5850, 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 0x0000013CB84B7490, 16 bytes long.
 Data: <&#216;eK&#184;<           > D8 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013CB84B7300, 16 bytes long.
 Data: <&#176;eK&#184;<           > B0 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013CB84ADCA0, 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 0x0000013CB84B7530, 16 bytes long.
 Data: < eK&#184;<           > 88 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013CB84B6A90, 16 bytes long.
 Data: <`eK&#184;<           > 60 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013CB84B7170, 16 bytes long.
 Data: <8eK&#184;<           > 38 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013CB84B6BD0, 16 bytes long.
 Data: < eK&#184;<           > 10 65 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013CB84B5D20, 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 0x0000013CB84B6CC0, 16 bytes long.
 Data: < &#133;J&#184;<           > 08 85 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013CB84AE2A0, 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 0x0000013CB84B7620, 16 bytes long.
 Data: <&#224;&#132;J&#184;<           > E0 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013CB84B6E00, 16 bytes long.
 Data: <&#184;&#132;J&#184;<           > B8 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013CB84B6D10, 16 bytes long.
 Data: < &#132;J&#184;<           > 90 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013CB84B7260, 16 bytes long.
 Data: <h&#132;J&#184;<           > 68 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013CB84B73A0, 16 bytes long.
 Data: <@&#132;J&#184;<           > 40 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013CB84B72B0, 16 bytes long.
 Data: < &#132;J&#184;<           > 18 84 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013CB84ADAC0, 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 0x0000013CB84B69F0, 16 bytes long.
 Data: <&#240;&#131;J&#184;<           > F0 83 4A B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013CB84A83F0, 320 bytes long.
 Data: <&#240;iK&#184;<   &#192;&#218;J&#184;<   > F0 69 4B B8 3C 01 00 00 C0 DA 4A B8 3C 01 00 00 
{272} normal block at 0x0000013CB84B6A40, 16 bytes long.
 Data: <&#240;dK&#184;<           > F0 64 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013CB84B7350, 16 bytes long.
 Data: <&#200;dK&#184;<           > C8 64 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013CB84ADC40, 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 0x0000013CB84B6F90, 16 bytes long.
 Data: <&#160;dK&#184;<           > A0 64 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013CB84ADD60, 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 0x0000013CB84B6EA0, 16 bytes long.
 Data: <&#232;cK&#184;<           > E8 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013CB84B6B80, 16 bytes long.
 Data: <&#192;cK&#184;<           > C0 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013CB84B7670, 16 bytes long.
 Data: < cK&#184;<           > 98 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013CB84AEAD0, 16 bytes long.
 Data: <pcK&#184;<           > 70 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013CB84AF9D0, 16 bytes long.
 Data: <HcK&#184;<           > 48 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013CB84AF980, 16 bytes long.
 Data: < cK&#184;<           > 20 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013CB84AF930, 16 bytes long.
 Data: <&#224;^K&#184;<           > E0 5E 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013CB84B5EE0, 40 bytes long.
 Data: <0&#249;J&#184;<   &#176;&#231; &#186;<   > 30 F9 4A B8 3C 01 00 00 B0 E7 0F BA 3C 01 00 00 
{258} normal block at 0x0000013CB84AEDA0, 16 bytes long.
 Data: < cK&#184;<           > 00 63 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013CB84AF8E0, 16 bytes long.
 Data: <&#216;bK&#184;<           > D8 62 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013CB84ADE20, 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 0x0000013CB84AF5C0, 16 bytes long.
 Data: <&#176;bK&#184;<           > B0 62 4B B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000013CB84B62B0, 992 bytes long.
 Data: <&#192;&#245;J&#184;<    &#222;J&#184;<   > C0 F5 4A B8 3C 01 00 00 20 DE 4A B8 3C 01 00 00 
{90} normal block at 0x0000013CB84AE240, 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 0x0000013CB84AEF80, 16 bytes long.
 Data: <p&#238;I&#184;<           > 70 EE 49 B8 3C 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000013CB849EE70, 40 bytes long.
 Data: < &#239;J&#184;<   @&#226;J&#184;<   > 80 EF 4A B8 3C 01 00 00 40 E2 4A B8 3C 01 00 00 
{67} normal block at 0x0000013CB84AF7A0, 16 bytes long.
 Data: < &#234;&#215;&#183;&#246;           > 80 EA D7 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013CB84AF750, 16 bytes long.
 Data: <@&#233;&#215;&#183;&#246;           > 40 E9 D7 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013CB84AEBC0, 16 bytes long.
 Data: <&#248;W&#212;&#183;&#246;           > F8 57 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013CB84AF160, 16 bytes long.
 Data: <&#216;W&#212;&#183;&#246;           > D8 57 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013CB84AEC60, 16 bytes long.
 Data: <P &#212;&#183;&#246;           > 50 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013CB84AF200, 16 bytes long.
 Data: <0 &#212;&#183;&#246;           > 30 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013CB84AEC10, 16 bytes long.
 Data: <&#224; &#212;&#183;&#246;           > E0 02 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013CB84AFA20, 16 bytes long.
 Data: <  &#212;&#183;&#246;           > 10 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000013CB84AF890, 16 bytes long.
 Data: <p &#212;&#183;&#246;           > 70 04 D4 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000013CB84AEB70, 16 bytes long.
 Data: < &#192;&#210;&#183;&#246;           > 18 C0 D2 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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