Task 38686600

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5548_0
Workunit 31628027
Created 28 Oct 2026, 3:25:28 UTC
Sent 28 Oct 2026, 3:25:31 UTC
Report deadline 2 Nov 2026, 3:25:31 UTC
Received 28 Oct 2026, 4:09:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 43 min 19 sec
CPU time 39 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.79 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:27:02 (7524): wrapper (7.9.26016): starting
21:27:02 (7524): 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
21:27:04 (7524): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:27:04 (7524): 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\19\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\19\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
22:08:59 (7524): C:/Windows/system32/cmd.exe exited; CPU time 2390.343750
22:08:59 (7524): 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: 59463723 bytes.
Dumping objects ->
{3835483} normal block at 0x00000198221DC880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000198203B48A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x00000198203B4830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x00000198203B47C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x00000198203B4750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x0000019822226080, 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) : {3835395} normal block at 0x00000198203B0830, 8 bytes long.
 Data: <  &#244;!    > 00 00 F4 21 98 01 00 00 
{3833957} normal block at 0x00000198203B0970, 8 bytes long.
 Data: < ++"    > 90 2B 2B 22 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000198203A7260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001982039FB20, 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 0x00000198203B5F90, 16 bytes long.
 Data: < d;             > 18 64 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000198203B5C20, 16 bytes long.
 Data: <&#240;c;             > F0 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000198203AFFB0, 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 0x00000198203B5810, 16 bytes long.
 Data: <&#200;c;             > C8 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000198203B59F0, 16 bytes long.
 Data: <&#160;c;             > A0 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000198203B53B0, 16 bytes long.
 Data: <xc;             > 78 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000198203B5F40, 16 bytes long.
 Data: <Pc;             > 50 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000198203B4910, 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 0x00000198203B5770, 16 bytes long.
 Data: <&#184;	:             > B8 09 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000198203B0430, 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 0x00000198203B59A0, 16 bytes long.
 Data: < 	:             > 90 09 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000198203B5680, 16 bytes long.
 Data: <h	:             > 68 09 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000198203B5950, 16 bytes long.
 Data: <@	:             > 40 09 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000198203B5B30, 16 bytes long.
 Data: < 	:             > 18 09 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000198203B5630, 16 bytes long.
 Data: <&#240; :             > F0 08 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000198203B5540, 16 bytes long.
 Data: <&#200; :             > C8 08 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000198203AFC50, 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 0x00000198203B5D60, 16 bytes long.
 Data: <&#160; :             > A0 08 3A 20 98 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000198203A08A0, 320 bytes long.
 Data: <`];     P&#252;:     > 60 5D 3B 20 98 01 00 00 50 FC 3A 20 98 01 00 00 
{274} normal block at 0x00000198203B5EF0, 16 bytes long.
 Data: <0c;             > 30 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000198203B55E0, 16 bytes long.
 Data: < c;             > 08 63 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000198203AF950, 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 0x00000198203B5590, 16 bytes long.
 Data: <&#224;b;             > E0 62 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000198203B0310, 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 0x00000198203B5720, 16 bytes long.
 Data: <(b;             > 28 62 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000198203B5BD0, 16 bytes long.
 Data: < b;             > 00 62 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000198203B56D0, 16 bytes long.
 Data: <&#216;a;             > D8 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000198203B5130, 16 bytes long.
 Data: <&#176;a;             > B0 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000198203B5360, 16 bytes long.
 Data: < a;             > 88 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000198203B6080, 16 bytes long.
 Data: <`a;             > 60 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000198203B54F0, 16 bytes long.
 Data: < I;             > 80 49 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000198203B4980, 40 bytes long.
 Data: <&#240;T;      `""    > F0 54 3B 20 98 01 00 00 80 60 22 22 98 01 00 00 
{260} normal block at 0x00000198203B57C0, 16 bytes long.
 Data: <@a;             > 40 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000198203B51D0, 16 bytes long.
 Data: < a;             > 18 61 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000198203AF770, 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 0x00000198203B5310, 16 bytes long.
 Data: <&#240;`;             > F0 60 3B 20 98 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000198203B60F0, 992 bytes long.
 Data: < S;     p&#247;:     > 10 53 3B 20 98 01 00 00 70 F7 3A 20 98 01 00 00 
{92} normal block at 0x00000198203AF890, 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 0x00000198203B08D0, 16 bytes long.
 Data: <@&#215;9             > 40 D7 39 20 98 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001982039D740, 40 bytes long.
 Data: <&#208; ;      &#248;:     > D0 08 3B 20 98 01 00 00 90 F8 3A 20 98 01 00 00 
{69} normal block at 0x00000198203B0CE0, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000198203B0B50, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000198203B0C90, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000198203B0740, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000198203B1500, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000198203B1050, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000198203B14B0, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000198203B0880, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000198203B0920, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000198203B0A10, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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