Task 38681894

Name test_830-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2178_0
Workunit 31623537
Created 27 Oct 2026, 5:46:59 UTC
Sent 27 Oct 2026, 5:47:03 UTC
Report deadline 1 Nov 2026, 5:47:03 UTC
Received 27 Oct 2026, 6:56:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 31 min 58 sec
CPU time 29 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.78 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:25:14 (19176): wrapper (7.9.26016): starting
01:25:14 (19176): 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
01:25:16 (19176): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:25:16 (19176): 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\14\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\14\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
01:56:18 (19176): C:/Windows/system32/cmd.exe exited; CPU time 1781.125000
01:56:18 (19176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 41547881 bytes.
Dumping objects ->
{3835265} normal block at 0x000001B569FBC6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001B568354A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001B5683549B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x000001B568354940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001B5683548D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x000001B56A00AAA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835177} normal block at 0x000001B56834F190, 8 bytes long.
 Data: <  /h&#181;   > 00 00 2F 68 B5 01 00 00 
{3833963} normal block at 0x000001B56834F410, 8 bytes long.
 Data: <`&#163; j&#181;   > 60 A3 01 6A B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B568350FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B56833EB70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B568355330, 16 bytes long.
 Data: <(e5h&#181;           > 28 65 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B5683558D0, 16 bytes long.
 Data: < e5h&#181;           > 00 65 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B56834F940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B5683556F0, 16 bytes long.
 Data: <&#216;d5h&#181;           > D8 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B5683556A0, 16 bytes long.
 Data: <&#176;d5h&#181;           > B0 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B568355C40, 16 bytes long.
 Data: < d5h&#181;           > 88 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B568355420, 16 bytes long.
 Data: <`d5h&#181;           > 60 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B568354710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B568355290, 16 bytes long.
 Data: <&#232; 4h&#181;           > E8 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B5683500C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B568355560, 16 bytes long.
 Data: <&#192; 4h&#181;           > C0 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B568355BF0, 16 bytes long.
 Data: <  4h&#181;           > 98 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B5683555B0, 16 bytes long.
 Data: <p 4h&#181;           > 70 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B568355880, 16 bytes long.
 Data: <H 4h&#181;           > 48 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B568355DD0, 16 bytes long.
 Data: <  4h&#181;           > 20 8D 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B568355A10, 16 bytes long.
 Data: <&#248;&#140;4h&#181;           > F8 8C 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B568350420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B568356000, 16 bytes long.
 Data: <&#208;&#140;4h&#181;           > D0 8C 34 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B568348CD0, 320 bytes long.
 Data: < `5h&#181;     5h&#181;   > 00 60 35 68 B5 01 00 00 20 04 35 68 B5 01 00 00 
{277} normal block at 0x000001B5683552E0, 16 bytes long.
 Data: <@d5h&#181;           > 40 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B568355740, 16 bytes long.
 Data: < d5h&#181;           > 18 64 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B568350360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B5683554C0, 16 bytes long.
 Data: <&#240;c5h&#181;           > F0 63 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B56834FE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B568355650, 16 bytes long.
 Data: <8c5h&#181;           > 38 63 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B568355600, 16 bytes long.
 Data: < c5h&#181;           > 10 63 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B568355240, 16 bytes long.
 Data: <&#232;b5h&#181;           > E8 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B568355830, 16 bytes long.
 Data: <&#192;b5h&#181;           > C0 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B568356140, 16 bytes long.
 Data: < b5h&#181;           > 98 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B5683559C0, 16 bytes long.
 Data: <pb5h&#181;           > 70 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B568355BA0, 16 bytes long.
 Data: <pK5h&#181;           > 70 4B 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B568354B70, 40 bytes long.
 Data: <&#160;[5h&#181;   &#160;&#170; j&#181;   > A0 5B 35 68 B5 01 00 00 A0 AA 00 6A B5 01 00 00 
{263} normal block at 0x000001B568355470, 16 bytes long.
 Data: <Pb5h&#181;           > 50 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B568355AB0, 16 bytes long.
 Data: <(b5h&#181;           > 28 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B56834F820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B568356050, 16 bytes long.
 Data: < b5h&#181;           > 00 62 35 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B568356200, 992 bytes long.
 Data: <P`5h&#181;    &#248;4h&#181;   > 50 60 35 68 B5 01 00 00 20 F8 34 68 B5 01 00 00 
{95} normal block at 0x000001B56834F700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B56834EFB0, 16 bytes long.
 Data: <&#192;&#212;3h&#181;           > C0 D4 33 68 B5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B56833D4C0, 40 bytes long.
 Data: <&#176;&#239;4h&#181;    &#247;4h&#181;   > B0 EF 34 68 B5 01 00 00 00 F7 34 68 B5 01 00 00 
{72} normal block at 0x000001B56834EF60, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B56834EEC0, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B56834E920, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B56834EE70, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B56834F460, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B56834F550, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B56834EE20, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B56834E8D0, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B56834F370, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B56834EAB0, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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