Task 38648232

Name test_67-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5890_0
Workunit 31592941
Created 23 Oct 2026, 20:35:00 UTC
Sent 23 Oct 2026, 22:57:15 UTC
Report deadline 28 Oct 2026, 22:57:15 UTC
Received 24 Oct 2026, 0:50:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 25 min 47 sec
CPU time 25 min 2 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 686.52 MB
Peak swap size 6.86 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:25:14 (14640): wrapper (7.9.26016): starting
03:25:14 (14640): 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
03:25:15 (14640): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:25:15 (14640): 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
03:50:21 (14640): C:/Windows/system32/cmd.exe exited; CPU time 1502.046875
03:50:21 (14640): 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: 20489427 bytes.
Dumping objects ->
{3835550} normal block at 0x000001B5F41CF8F0, 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 0x000001B5F24E55E0, 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 0x000001B5F24E5960, 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 0x000001B5F24E5570, 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 0x000001B5F24E5810, 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 0x000001B5F421D170, 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 0x000001B5F412DEB0, 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 0x000001B5F24E0C60, 8 bytes long.
 Data: <  &#157;&#242;&#181;   > 00 00 9D F2 B5 01 00 00 
{3834689} normal block at 0x000001B5F412E230, 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 0x000001B5F24E0260, 8 bytes long.
 Data: < &#204;P&#242;&#181;   > 10 CC 50 F2 B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B5F24E1270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B5F24D66B0, 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 0x000001B5F24E6880, 16 bytes long.
 Data: < qN&#242;&#181;           > 18 71 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B5F24E6150, 16 bytes long.
 Data: <&#240;pN&#242;&#181;           > F0 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B5F24DF290, 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 0x000001B5F24E6C40, 16 bytes long.
 Data: <&#200;pN&#242;&#181;           > C8 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B5F24E6100, 16 bytes long.
 Data: <&#160;pN&#242;&#181;           > A0 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B5F24E6970, 16 bytes long.
 Data: <xpN&#242;&#181;           > 78 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B5F24E66F0, 16 bytes long.
 Data: <PpN&#242;&#181;           > 50 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B5F24E59D0, 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 0x000001B5F24E66A0, 16 bytes long.
 Data: <&#216;QN&#242;&#181;           > D8 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B5F24DFA70, 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 0x000001B5F24E6290, 16 bytes long.
 Data: <&#176;QN&#242;&#181;           > B0 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B5F24E68D0, 16 bytes long.
 Data: < QN&#242;&#181;           > 88 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B5F24E5E30, 16 bytes long.
 Data: <`QN&#242;&#181;           > 60 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B5F24E62E0, 16 bytes long.
 Data: <8QN&#242;&#181;           > 38 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B5F24E6920, 16 bytes long.
 Data: < QN&#242;&#181;           > 10 51 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B5F24E5F70, 16 bytes long.
 Data: <&#232;PN&#242;&#181;           > E8 50 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B5F24DEE10, 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 0x000001B5F24E6AB0, 16 bytes long.
 Data: <&#192;PN&#242;&#181;           > C0 50 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B5F24E50C0, 320 bytes long.
 Data: <&#176;jN&#242;&#181;    &#238;M&#242;&#181;   > B0 6A 4E F2 B5 01 00 00 10 EE 4D F2 B5 01 00 00 
{274} normal block at 0x000001B5F24E6830, 16 bytes long.
 Data: <0pN&#242;&#181;           > 30 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B5F24E6470, 16 bytes long.
 Data: < pN&#242;&#181;           > 08 70 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B5F24DF7D0, 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 0x000001B5F24E6C90, 16 bytes long.
 Data: <&#224;oN&#242;&#181;           > E0 6F 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B5F24DEE70, 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 0x000001B5F24E67E0, 16 bytes long.
 Data: <(oN&#242;&#181;           > 28 6F 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B5F24E5FC0, 16 bytes long.
 Data: < oN&#242;&#181;           > 00 6F 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B5F24E6560, 16 bytes long.
 Data: <&#216;nN&#242;&#181;           > D8 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B5F24E61A0, 16 bytes long.
 Data: <&#176;nN&#242;&#181;           > B0 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B5F24E6A60, 16 bytes long.
 Data: < nN&#242;&#181;           > 88 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B5F24E6D80, 16 bytes long.
 Data: <`nN&#242;&#181;           > 60 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B5F24E6790, 16 bytes long.
 Data: <&#176;SN&#242;&#181;           > B0 53 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B5F24E53B0, 40 bytes long.
 Data: <&#144;gN&#242;&#181;   p&#209;!&#244;&#181;   > 90 67 4E F2 B5 01 00 00 70 D1 21 F4 B5 01 00 00 
{260} normal block at 0x000001B5F24E60B0, 16 bytes long.
 Data: <@nN&#242;&#181;           > 40 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B5F24E6B50, 16 bytes long.
 Data: < nN&#242;&#181;           > 18 6E 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B5F24DF230, 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 0x000001B5F24E65B0, 16 bytes long.
 Data: <&#240;mN&#242;&#181;           > F0 6D 4E F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B5F24E6DF0, 992 bytes long.
 Data: <&#176;eN&#242;&#181;   0&#242;M&#242;&#181;   > B0 65 4E F2 B5 01 00 00 30 F2 4D F2 B5 01 00 00 
{92} normal block at 0x000001B5F24DFAD0, 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 0x000001B5F24DFFE0, 16 bytes long.
 Data: <&#240;&#196;L&#242;&#181;           > F0 C4 4C F2 B5 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B5F24CC4F0, 40 bytes long.
 Data: <&#224;&#255;M&#242;&#181;   &#208;&#250;M&#242;&#181;   > E0 FF 4D F2 B5 01 00 00 D0 FA 4D F2 B5 01 00 00 
{69} normal block at 0x000001B5F24DFF90, 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 0x000001B5F24E0C10, 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 0x000001B5F24E03F0, 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 0x000001B5F24E0080, 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 0x000001B5F24E06C0, 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 0x000001B5F24DFE50, 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 0x000001B5F24E03A0, 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 0x000001B5F24E05D0, 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 0x000001B5F24E0BC0, 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 0x000001B5F24E0B20, 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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