Task 38647049

Name test_986-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7245_1
Workunit 31591823
Created 23 Oct 2026, 18:20:05 UTC
Sent 23 Oct 2026, 18:28:04 UTC
Report deadline 28 Oct 2026, 18:28:04 UTC
Received 23 Oct 2026, 21:16:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 43 min 42 sec
CPU time 38 min 36 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.35 MB
Peak swap size 8.41 GB
Peak disk usage 3.50 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:34:33 (7944): wrapper (7.9.26016): starting
13:34:33 (7944): 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
13:34:34 (7944): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:34:34 (7944): 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
14:16:04 (7944): C:/Windows/system32/cmd.exe exited; CPU time 2316.250000
14:16:04 (7944): 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: 49164975 bytes.
Dumping objects ->
{3835458} normal block at 0x000002B792936150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002B7929360E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002B792935C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002B790B46130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002B790B460C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002B7928D7610, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002B7928F05D0, 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) : {3835369} normal block at 0x000002B790B3E6C0, 8 bytes long.
 Data: <   &#145;&#183;   > 00 00 19 91 B7 02 00 00 
{3834654} normal block at 0x000002B7928F0310, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002B790B3EE40, 8 bytes long.
 Data: <&#208;&#249;&#142;&#146;&#183;   > D0 F9 8E 92 B7 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002B790B42CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002B790B373D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002B790B46C50, 16 bytes long.
 Data: <H~&#180; &#183;           > 48 7E B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B790B46F20, 16 bytes long.
 Data: < ~&#180; &#183;           > 20 7E B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B790B40600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002B790B471F0, 16 bytes long.
 Data: <&#248;}&#180; &#183;           > F8 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B790B46E80, 16 bytes long.
 Data: <&#208;}&#180; &#183;           > D0 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B790B473D0, 16 bytes long.
 Data: <&#168;}&#180; &#183;           > A8 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B790B479C0, 16 bytes long.
 Data: < }&#180; &#183;           > 80 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B790B46210, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002B790B46CA0, 16 bytes long.
 Data: <Hh&#180; &#183;           > 48 68 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B790B405A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002B790B47830, 16 bytes long.
 Data: < h&#180; &#183;           > 20 68 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B790B47740, 16 bytes long.
 Data: <&#248;g&#180; &#183;           > F8 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B790B46E30, 16 bytes long.
 Data: <&#208;g&#180; &#183;           > D0 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B790B47A10, 16 bytes long.
 Data: <&#168;g&#180; &#183;           > A8 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B790B471A0, 16 bytes long.
 Data: < g&#180; &#183;           > 80 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B790B478D0, 16 bytes long.
 Data: <Xg&#180; &#183;           > 58 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B790B407E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002B790B47010, 16 bytes long.
 Data: <0g&#180; &#183;           > 30 67 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B790B46730, 320 bytes long.
 Data: < p&#180; &#183;   &#224; &#180; &#183;   > 10 70 B4 90 B7 02 00 00 E0 07 B4 90 B7 02 00 00 
{278} normal block at 0x000002B790B47790, 16 bytes long.
 Data: <`}&#180; &#183;           > 60 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B790B47920, 16 bytes long.
 Data: <8}&#180; &#183;           > 38 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B790B40540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002B790B46D40, 16 bytes long.
 Data: < }&#180; &#183;           > 10 7D B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B790B408A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002B790B46CF0, 16 bytes long.
 Data: <X|&#180; &#183;           > 58 7C B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B790B474C0, 16 bytes long.
 Data: <0|&#180; &#183;           > 30 7C B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B790B476F0, 16 bytes long.
 Data: < |&#180; &#183;           > 08 7C B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B790B46DE0, 16 bytes long.
 Data: <&#224;{&#180; &#183;           > E0 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B790B47510, 16 bytes long.
 Data: <&#184;{&#180; &#183;           > B8 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B790B47150, 16 bytes long.
 Data: < {&#180; &#183;           > 90 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B790B47650, 16 bytes long.
 Data: <&#176;d&#180; &#183;           > B0 64 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B790B464B0, 40 bytes long.
 Data: <Pv&#180; &#183;    v &#146;&#183;   > 50 76 B4 90 B7 02 00 00 10 76 8D 92 B7 02 00 00 
{264} normal block at 0x000002B790B47600, 16 bytes long.
 Data: <p{&#180; &#183;           > 70 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B790B47380, 16 bytes long.
 Data: <H{&#180; &#183;           > 48 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B790B40900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002B790B47880, 16 bytes long.
 Data: < {&#180; &#183;           > 20 7B B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B790B47B20, 992 bytes long.
 Data: < x&#180; &#183;    	&#180; &#183;   > 80 78 B4 90 B7 02 00 00 00 09 B4 90 B7 02 00 00 
{96} normal block at 0x000002B790B40A20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002B790B3F0C0, 16 bytes long.
 Data: <@d&#180; &#183;           > 40 64 B4 90 B7 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002B790B46440, 40 bytes long.
 Data: <&#192;&#240;&#179; &#183;     &#180; &#183;   > C0 F0 B3 90 B7 02 00 00 20 0A B4 90 B7 02 00 00 
{73} normal block at 0x000002B790B3EA30, 16 bytes long.
 Data: < &#234;&#227;&#231;&#246;           > 80 EA E3 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B790B3E3F0, 16 bytes long.
 Data: <@&#233;&#227;&#231;&#246;           > 40 E9 E3 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B790B3E9E0, 16 bytes long.
 Data: <&#248;W&#224;&#231;&#246;           > F8 57 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B790B3E8A0, 16 bytes long.
 Data: <&#216;W&#224;&#231;&#246;           > D8 57 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B790B3E7B0, 16 bytes long.
 Data: <P &#224;&#231;&#246;           > 50 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B790B3E3A0, 16 bytes long.
 Data: <0 &#224;&#231;&#246;           > 30 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B790B3E530, 16 bytes long.
 Data: <&#224; &#224;&#231;&#246;           > E0 02 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B790B3F110, 16 bytes long.
 Data: <  &#224;&#231;&#246;           > 10 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B790B3E4E0, 16 bytes long.
 Data: <p &#224;&#231;&#246;           > 70 04 E0 E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B790B3E990, 16 bytes long.
 Data: < &#192;&#222;&#231;&#246;           > 18 C0 DE E7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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