Task 38698675

Name test_187-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2606_0
Workunit 31639175
Created 2 Nov 2026, 22:12:49 UTC
Sent 2 Nov 2026, 22:12:56 UTC
Report deadline 7 Nov 2026, 22:12:56 UTC
Received 2 Nov 2026, 22:47:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616268
Run time 26 min 3 sec
CPU time 25 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.27 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:21:15 (38308): wrapper (7.9.26016): starting
03:21:15 (38308): 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
03:21:16 (38308): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:21:16 (38308): 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\8\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\8\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
03:46:37 (38308): C:/Windows/system32/cmd.exe exited; CPU time 1518.453125
03:46:37 (38308): 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: 29062579 bytes.
Dumping objects ->
{3835950} normal block at 0x000001CE19F51230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835939} normal block at 0x000001CE19F50F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835928} normal block at 0x000001CE19F50890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835917} normal block at 0x000001CE181B5310, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835906} normal block at 0x000001CE181B5230, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835875} normal block at 0x000001CE19FC4420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835864} normal block at 0x000001CE1820DD20, 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) : {3835861} normal block at 0x000001CE181AF8F0, 8 bytes long.
 Data: <  h &#206;   > 00 00 68 18 CE 01 00 00 
{3834871} normal block at 0x000001CE1820D9E0, 140 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 0x000001CE181AFE40, 8 bytes long.
 Data: < K  &#206;   > 00 4B 1B 18 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CE181B19B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CE1819EAC0, 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 0x000001CE181B6D60, 16 bytes long.
 Data: <8r  &#206;           > 38 72 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CE181B6A90, 16 bytes long.
 Data: < r  &#206;           > 10 72 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CE181B0D00, 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 0x000001CE181B5F50, 16 bytes long.
 Data: <&#232;q  &#206;           > E8 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CE181B6C20, 16 bytes long.
 Data: <&#192;q  &#206;           > C0 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CE181B61D0, 16 bytes long.
 Data: < q  &#206;           > 98 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CE181B68B0, 16 bytes long.
 Data: <pq  &#206;           > 70 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CE181B5700, 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 0x000001CE181B6770, 16 bytes long.
 Data: < [  &#206;           > 08 5B 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CE181B0400, 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 0x000001CE181B6130, 16 bytes long.
 Data: <&#224;Z  &#206;           > E0 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CE181B65E0, 16 bytes long.
 Data: <&#184;Z  &#206;           > B8 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CE181B6C70, 16 bytes long.
 Data: < Z  &#206;           > 90 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CE181B6720, 16 bytes long.
 Data: <hZ  &#206;           > 68 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CE181B60E0, 16 bytes long.
 Data: <@Z  &#206;           > 40 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CE181B67C0, 16 bytes long.
 Data: < Z  &#206;           > 18 5A 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CE181B0A60, 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 0x000001CE181B6EA0, 16 bytes long.
 Data: <&#240;Y  &#206;           > F0 59 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CE181B59F0, 320 bytes long.
 Data: <&#160;n  &#206;   `   &#206;   > A0 6E 1B 18 CE 01 00 00 60 0A 1B 18 CE 01 00 00 
{278} normal block at 0x000001CE181B6AE0, 16 bytes long.
 Data: <Pq  &#206;           > 50 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CE181B6040, 16 bytes long.
 Data: <(q  &#206;           > 28 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CE181B0640, 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 0x000001CE181B66D0, 16 bytes long.
 Data: < q  &#206;           > 00 71 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CE181B0820, 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 0x000001CE181B5FF0, 16 bytes long.
 Data: <Hp  &#206;           > 48 70 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CE181B6270, 16 bytes long.
 Data: < p  &#206;           > 20 70 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CE181B6180, 16 bytes long.
 Data: <&#248;o  &#206;           > F8 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CE181B64A0, 16 bytes long.
 Data: <&#208;o  &#206;           > D0 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CE181B6540, 16 bytes long.
 Data: <&#168;o  &#206;           > A8 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CE181B6A40, 16 bytes long.
 Data: < o  &#206;           > 80 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CE181B6E50, 16 bytes long.
 Data: <&#240;S  &#206;           > F0 53 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CE181B53F0, 40 bytes long.
 Data: <Pn  &#206;    D&#252; &#206;   > 50 6E 1B 18 CE 01 00 00 20 44 FC 19 CE 01 00 00 
{264} normal block at 0x000001CE181B5FA0, 16 bytes long.
 Data: <`o  &#206;           > 60 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CE181B6D10, 16 bytes long.
 Data: <8o  &#206;           > 38 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CE181B05E0, 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 0x000001CE181B6CC0, 16 bytes long.
 Data: < o  &#206;           > 10 6F 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CE181B6F10, 992 bytes long.
 Data: <&#192;l  &#206;   &#224;   &#206;   > C0 6C 1B 18 CE 01 00 00 E0 05 1B 18 CE 01 00 00 
{96} normal block at 0x000001CE181B0B80, 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 0x000001CE181AFF30, 16 bytes long.
 Data: <&#208;T  &#206;           > D0 54 1B 18 CE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001CE181B54D0, 40 bytes long.
 Data: <0&#255;  &#206;       &#206;   > 30 FF 1A 18 CE 01 00 00 80 0B 1B 18 CE 01 00 00 
{73} normal block at 0x000001CE181AFEE0, 16 bytes long.
 Data: < &#234; &#164;&#247;           > 80 EA 81 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CE181AF940, 16 bytes long.
 Data: <@&#233; &#164;&#247;           > 40 E9 81 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CE181AF350, 16 bytes long.
 Data: <&#248;W~&#164;&#247;           > F8 57 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CE181AF7B0, 16 bytes long.
 Data: <&#216;W~&#164;&#247;           > D8 57 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CE181AF990, 16 bytes long.
 Data: <P ~&#164;&#247;           > 50 04 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CE181AF760, 16 bytes long.
 Data: <0 ~&#164;&#247;           > 30 04 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CE181AFC10, 16 bytes long.
 Data: <&#224; ~&#164;&#247;           > E0 02 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CE181AFDF0, 16 bytes long.
 Data: <  ~&#164;&#247;           > 10 04 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CE181AFD00, 16 bytes long.
 Data: <p ~&#164;&#247;           > 70 04 7E A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CE181AF8A0, 16 bytes long.
 Data: < &#192;|&#164;&#247;           > 18 C0 7C A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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