Task 38651765

Name test_729-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND9176_1
Workunit 31596044
Created 24 Oct 2026, 2:29:03 UTC
Sent 24 Oct 2026, 3:04:19 UTC
Report deadline 29 Oct 2026, 3:04:19 UTC
Received 24 Oct 2026, 4:55:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 33 min 10 sec
CPU time 32 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.86 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:22:19 (20092): wrapper (7.9.26016): starting
07:22:19 (20092): 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
07:22:20 (20092): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:22:20 (20092): 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
07:54:50 (20092): C:/Windows/system32/cmd.exe exited; CPU time 1938.718750
07:54:50 (20092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 25985529 bytes.
Dumping objects ->
{3835550} normal block at 0x000002CB5348E270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002CB516B5C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000002CB516B5C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000002CB516B5FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000002CB516B6300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000002CB534DCE10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000002CB53536800, 155 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) : {3835461} normal block at 0x000002CB516B0180, 8 bytes long.
 Data: <  &#195;Q&#203;   > 00 00 C3 51 CB 02 00 00 
{3834689} normal block at 0x000002CB53536C60, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002CB516B0130, 8 bytes long.
 Data: <&#208;:VS&#203;   > D0 3A 56 53 CB 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002CB516B1C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002CB516A7AB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002CB516B7100, 16 bytes long.
 Data: <&#168;xkQ&#203;           > A8 78 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CB516B70B0, 16 bytes long.
 Data: <&#128;xkQ&#203;           > 80 78 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002CB516B1A90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002CB516B67F0, 16 bytes long.
 Data: <XxkQ&#203;           > 58 78 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CB516B65C0, 16 bytes long.
 Data: <0xkQ&#203;           > 30 78 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CB516B6CA0, 16 bytes long.
 Data: < xkQ&#203;           > 08 78 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CB516B71F0, 16 bytes long.
 Data: <&#224;wkQ&#203;           > E0 77 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CB516B6060, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002CB516B6E80, 16 bytes long.
 Data: <&#168;&#255;iQ&#203;           > A8 FF 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CB516B0CB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002CB516B6C50, 16 bytes long.
 Data: <&#128;&#255;iQ&#203;           > 80 FF 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CB516B6930, 16 bytes long.
 Data: <X&#255;iQ&#203;           > 58 FF 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CB516B7060, 16 bytes long.
 Data: <0&#255;iQ&#203;           > 30 FF 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CB516B6F20, 16 bytes long.
 Data: < &#255;iQ&#203;           > 08 FF 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CB516B6E30, 16 bytes long.
 Data: <&#224;&#254;iQ&#203;           > E0 FE 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CB516B69D0, 16 bytes long.
 Data: <&#184;&#254;iQ&#203;           > B8 FE 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CB516B1910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002CB516B6DE0, 16 bytes long.
 Data: <&#144;&#254;iQ&#203;           > 90 FE 69 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CB5169FE90, 320 bytes long.
 Data: <&#224;mkQ&#203;     kQ&#203;   > E0 6D 6B 51 CB 02 00 00 10 19 6B 51 CB 02 00 00 
{274} normal block at 0x000002CB516B6D40, 16 bytes long.
 Data: <&#192;wkQ&#203;           > C0 77 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CB516B7010, 16 bytes long.
 Data: < wkQ&#203;           > 98 77 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CB516B15B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002CB516B6BB0, 16 bytes long.
 Data: <pwkQ&#203;           > 70 77 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CB516B16D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002CB516B7290, 16 bytes long.
 Data: <&#184;vkQ&#203;           > B8 76 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CB516B71A0, 16 bytes long.
 Data: <&#144;vkQ&#203;           > 90 76 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CB516B6FC0, 16 bytes long.
 Data: <hvkQ&#203;           > 68 76 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CB516B68E0, 16 bytes long.
 Data: <@vkQ&#203;           > 40 76 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CB516B7240, 16 bytes long.
 Data: < vkQ&#203;           > 18 76 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CB516B7510, 16 bytes long.
 Data: <&#240;ukQ&#203;           > F0 75 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CB516B6660, 16 bytes long.
 Data: <&#128;_kQ&#203;           > 80 5F 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CB516B5F80, 40 bytes long.
 Data: <`fkQ&#203;    &#206;MS&#203;   > 60 66 6B 51 CB 02 00 00 10 CE 4D 53 CB 02 00 00 
{260} normal block at 0x000002CB516B6B60, 16 bytes long.
 Data: <&#208;ukQ&#203;           > D0 75 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CB516B6840, 16 bytes long.
 Data: <&#168;ukQ&#203;           > A8 75 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CB516B0E90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002CB516B6F70, 16 bytes long.
 Data: <&#128;ukQ&#203;           > 80 75 6B 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CB516B7580, 992 bytes long.
 Data: <pokQ&#203;   &#144; kQ&#203;   > 70 6F 6B 51 CB 02 00 00 90 0E 6B 51 CB 02 00 00 
{92} normal block at 0x000002CB516B17F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002CB516B0220, 16 bytes long.
 Data: <0&#166;jQ&#203;           > 30 A6 6A 51 CB 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002CB516AA630, 40 bytes long.
 Data: <  kQ&#203;   &#240; kQ&#203;   > 20 02 6B 51 CB 02 00 00 F0 17 6B 51 CB 02 00 00 
{69} normal block at 0x000002CB516B0AE0, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CB516B0770, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CB516AFC30, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CB516B0450, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CB516B03B0, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CB516AFEB0, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CB516B0680, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CB516AFE60, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CB516B0630, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CB516B0270, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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