Task 38685657

Name test_949-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8305_0
Workunit 31627118
Created 27 Oct 2026, 22:16:04 UTC
Sent 27 Oct 2026, 22:16:13 UTC
Report deadline 1 Nov 2026, 22:16:13 UTC
Received 28 Oct 2026, 0:09:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 27 min 54 sec
CPU time 25 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.94 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:32:55 (21320): wrapper (7.9.26016): starting
08:32:55 (21320): 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
08:32:58 (21320): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:32:58 (21320): 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\28\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\28\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
08:59:08 (21320): C:/Windows/system32/cmd.exe exited; CPU time 1507.125000
08:59:08 (21320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27754025 bytes.
Dumping objects ->
{3835370} normal block at 0x000002058037E1A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835359} normal block at 0x000002058037DE20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000002058037D6B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835337} normal block at 0x000002058037D5D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x000002058037D640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835295} normal block at 0x00000205823599D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000020582372B60, 102 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) : {3835281} normal block at 0x000002058034EA30, 8 bytes long.
 Data: <  a     > 00 00 61 80 05 02 00 00 
{3834663} normal block at 0x0000020582372060, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000002058034DDB0, 8 bytes long.
 Data: <`&#219;3     > 60 DB 33 80 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020580348C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020580341DC0, 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 0x000002058035A480, 16 bytes long.
 Data: <(&#179;5             > 28 B3 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020580359EE0, 16 bytes long.
 Data: < &#179;5             > 00 B3 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000205803559D0, 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 0x000002058035AA70, 16 bytes long.
 Data: <&#216;&#178;5             > D8 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002058035A980, 16 bytes long.
 Data: <&#176;&#178;5             > B0 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002058035A890, 16 bytes long.
 Data: < &#178;5             > 88 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002058035AAC0, 16 bytes long.
 Data: <`&#178;5             > 60 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000205803545B0, 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 0x000002058035A3E0, 16 bytes long.
 Data: <( 5             > 28 9D 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205803564B0, 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 0x000002058035A610, 16 bytes long.
 Data: <  5             > 00 9D 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002058035A700, 16 bytes long.
 Data: <&#216; 5             > D8 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002058035A430, 16 bytes long.
 Data: <&#176; 5             > B0 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002058035A250, 16 bytes long.
 Data: <  5             > 88 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002058035A1B0, 16 bytes long.
 Data: <` 5             > 60 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020580359F80, 16 bytes long.
 Data: <8 5             > 38 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020580355910, 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 0x000002058035A340, 16 bytes long.
 Data: <  5             > 10 9C 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020580359C10, 320 bytes long.
 Data: <@&#163;5      Y5     > 40 A3 35 80 05 02 00 00 10 59 35 80 05 02 00 00 
{277} normal block at 0x000002058035AD90, 16 bytes long.
 Data: <@&#178;5             > 40 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002058035A200, 16 bytes long.
 Data: < &#178;5             > 18 B2 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000205803566F0, 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 0x000002058035A840, 16 bytes long.
 Data: < &#177;5             > F0 B1 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020580356030, 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 0x0000020580359E90, 16 bytes long.
 Data: <8&#177;5             > 38 B1 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002058035A2A0, 16 bytes long.
 Data: < &#177;5             > 10 B1 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002058035AB60, 16 bytes long.
 Data: < &#176;5             > E8 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002058035A750, 16 bytes long.
 Data: <&#192;&#176;5             > C0 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002058035A020, 16 bytes long.
 Data: < &#176;5             > 98 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002058035ACA0, 16 bytes long.
 Data: <p&#176;5             > 70 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002058035AC00, 16 bytes long.
 Data: <`D5             > 60 44 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020580354460, 40 bytes long.
 Data: < &#172;5     &#208; 5     > 00 AC 35 80 05 02 00 00 D0 99 35 82 05 02 00 00 
{263} normal block at 0x000002058035ABB0, 16 bytes long.
 Data: <P&#176;5             > 50 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002058035A7F0, 16 bytes long.
 Data: <(&#176;5             > 28 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020580355AF0, 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 0x000002058035AD40, 16 bytes long.
 Data: < &#176;5             > 00 B0 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002058035B000, 992 bytes long.
 Data: <@&#173;5      Z5     > 40 AD 35 80 05 02 00 00 F0 5A 35 80 05 02 00 00 
{95} normal block at 0x0000020580355A30, 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 0x000002058034E9E0, 16 bytes long.
 Data: <&#192;H5             > C0 48 35 80 05 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000205803548C0, 40 bytes long.
 Data: <  4     0Z5     > E0 E9 34 80 05 02 00 00 30 5A 35 80 05 02 00 00 
{70} normal block at 0x000002058034E800, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002058034EAD0, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002058034E710, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002058034E760, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002058034E530, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002058034E300, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002058034DF90, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002058034E670, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002058034DF40, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002058034EBC0, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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