Task 38677381

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0064_0
Workunit 31619255
Created 26 Oct 2026, 14:10:40 UTC
Sent 26 Oct 2026, 14:10:43 UTC
Report deadline 31 Oct 2026, 14:10:43 UTC
Received 26 Oct 2026, 15:36:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 28 min 35 sec
CPU time 26 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.09 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:06:32 (11812): wrapper (7.9.26016): starting
17:06:32 (11812): 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
17:06:33 (11812): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:06:33 (11812): 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 'D:\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 'D:\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
17:34:26 (11812): C:/Windows/system32/cmd.exe exited; CPU time 1573.765625
17:34:26 (11812): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 22351451 bytes.
Dumping objects ->
{3835233} normal block at 0x0000020EA4510F00, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000020EA4510D40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000020EA4510C60, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000020EA45110C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000020EA4510B80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000020EA45BD780, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000020EA2A31C30, 160 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) : {3835144} normal block at 0x0000020EA29F8BD0, 8 bytes long.
 Data: <   &#162;    > 00 00 9A A2 0E 02 00 00 
{3834543} normal block at 0x0000020EA2A31530, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x0000020EA29F8A40, 8 bytes long.
 Data: <&#224;:&#163;&#162;    > E0 3A A3 A2 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000020EA29FE380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020EA29EE7F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000020EA2A04B40, 16 bytes long.
 Data: <&#200;O&#160;&#162;            > C8 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020EA2A03CE0, 16 bytes long.
 Data: <&#160;O&#160;&#162;            > A0 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020EA29FEF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000020EA2A04960, 16 bytes long.
 Data: <xO&#160;&#162;            > 78 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020EA2A04910, 16 bytes long.
 Data: <PO&#160;&#162;            > 50 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020EA2A04320, 16 bytes long.
 Data: <(O&#160;&#162;            > 28 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020EA2A04780, 16 bytes long.
 Data: < O&#160;&#162;            > 00 4F A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020EA29FFAD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000020EA2A04B90, 16 bytes long.
 Data: < &#231; &#162;            > 88 E7 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020EA29FEDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000020EA2A04AF0, 16 bytes long.
 Data: <`&#231; &#162;            > 60 E7 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020EA2A047D0, 16 bytes long.
 Data: <8&#231; &#162;            > 38 E7 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020EA2A043C0, 16 bytes long.
 Data: < &#231; &#162;            > 10 E7 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020EA2A040A0, 16 bytes long.
 Data: <&#232;&#230; &#162;            > E8 E6 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020EA2A046E0, 16 bytes long.
 Data: <&#192;&#230; &#162;            > C0 E6 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020EA2A03F60, 16 bytes long.
 Data: < &#230; &#162;            > 98 E6 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020EA29FECF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000020EA2A04050, 16 bytes long.
 Data: <p&#230; &#162;            > 70 E6 9E A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020EA29EE670, 320 bytes long.
 Data: <P@&#160;&#162;    &#240;&#236; &#162;    > 50 40 A0 A2 0E 02 00 00 F0 EC 9F A2 0E 02 00 00 
{266} normal block at 0x0000020EA2A04AA0, 16 bytes long.
 Data: <&#224;N&#160;&#162;            > E0 4E A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020EA2A04000, 16 bytes long.
 Data: <&#184;N&#160;&#162;            > B8 4E A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020EA29FF1D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000020EA2A04190, 16 bytes long.
 Data: < N&#160;&#162;            > 90 4E A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020EA29FED50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000020EA2A041E0, 16 bytes long.
 Data: <&#216;M&#160;&#162;            > D8 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020EA2A04730, 16 bytes long.
 Data: <&#176;M&#160;&#162;            > B0 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020EA2A045A0, 16 bytes long.
 Data: < M&#160;&#162;            > 88 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020EA2A04690, 16 bytes long.
 Data: <`M&#160;&#162;            > 60 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020EA2A04280, 16 bytes long.
 Data: <8M&#160;&#162;            > 38 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020EA2A04A50, 16 bytes long.
 Data: < M&#160;&#162;            > 10 4D A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020EA2A04140, 16 bytes long.
 Data: <@&#251; &#162;            > 40 FB 9F A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020EA29FFB40, 40 bytes long.
 Data: <@A&#160;&#162;     &#215;[&#164;    > 40 41 A0 A2 0E 02 00 00 80 D7 5B A4 0E 02 00 00 
{252} normal block at 0x0000020EA2A04A00, 16 bytes long.
 Data: <&#240;L&#160;&#162;            > F0 4C A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020EA2A03D80, 16 bytes long.
 Data: <&#200;L&#160;&#162;            > C8 4C A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020EA29FE630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000020EA2A049B0, 16 bytes long.
 Data: <&#160;L&#160;&#162;            > A0 4C A0 A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000020EA2A04CA0, 992 bytes long.
 Data: <&#176;I&#160;&#162;    0&#230; &#162;    > B0 49 A0 A2 0E 02 00 00 30 E6 9F A2 0E 02 00 00 
{84} normal block at 0x0000020EA29FEF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000020EA29F83B0, 16 bytes long.
 Data: <`&#250; &#162;            > 60 FA 9F A2 0E 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020EA29FFA60, 40 bytes long.
 Data: <&#176;&#131; &#162;    0&#239; &#162;    > B0 83 9F A2 0E 02 00 00 30 EF 9F A2 0E 02 00 00 
{61} normal block at 0x0000020EA29F81D0, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020EA29F89F0, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020EA29F87C0, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020EA29F8180, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020EA29F8220, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020EA29F86D0, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020EA29F8090, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020EA29F80E0, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020EA29F8860, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020EA29F8D60, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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