Task 38672727

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0583_0
Workunit 31614849
Created 26 Oct 2026, 0:16:01 UTC
Sent 26 Oct 2026, 0:16:01 UTC
Report deadline 31 Oct 2026, 0:16:01 UTC
Received 26 Oct 2026, 0:36:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 41 sec
CPU time 17 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.75 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:18:40 (9056): wrapper (7.9.26016): starting
01:18:40 (9056): 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
01:18:41 (9056): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:18:41 (9056): 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\1\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\1\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
01:35:45 (9056): C:/Windows/system32/cmd.exe exited; CPU time 1022.875000
01:35:45 (9056): 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: 15897323 bytes.
Dumping objects ->
{3835247} normal block at 0x00000167AFD958C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000167AFD95690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000167AFD957E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000167AFD95620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000167AFD95460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x00000167B1A88A30, 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) : {3835159} normal block at 0x00000167AFD8E340, 8 bytes long.
 Data: <  &#213;&#175;g   > 00 00 D5 AF 67 01 00 00 
{3833965} normal block at 0x00000167AFD8E700, 8 bytes long.
 Data: <PY&#174;&#177;g   > 50 59 AE B1 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000167AFD929D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000167AFD86BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000167AFD964B0, 16 bytes long.
 Data: <&#232;r&#217;&#175;g           > E8 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000167AFD963C0, 16 bytes long.
 Data: <&#192;r&#217;&#175;g           > C0 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000167AFD90A80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000167AFD96AF0, 16 bytes long.
 Data: < r&#217;&#175;g           > 98 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000167AFD96780, 16 bytes long.
 Data: <pr&#217;&#175;g           > 70 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000167AFD96690, 16 bytes long.
 Data: <Hr&#217;&#175;g           > 48 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000167AFD96EB0, 16 bytes long.
 Data: < r&#217;&#175;g           > 20 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000167AFD959A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000167AFD96A50, 16 bytes long.
 Data: <  &#215;&#175;g           > 18 BD D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000167AFD90000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000167AFD96A00, 16 bytes long.
 Data: <&#240;&#188;&#215;&#175;g           > F0 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000167AFD96D70, 16 bytes long.
 Data: <&#200;&#188;&#215;&#175;g           > C8 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000167AFD96960, 16 bytes long.
 Data: <&#160;&#188;&#215;&#175;g           > A0 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000167AFD966E0, 16 bytes long.
 Data: <x&#188;&#215;&#175;g           > 78 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000167AFD96730, 16 bytes long.
 Data: <P&#188;&#215;&#175;g           > 50 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000167AFD96640, 16 bytes long.
 Data: <(&#188;&#215;&#175;g           > 28 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000167AFD909C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000167AFD96910, 16 bytes long.
 Data: < &#188;&#215;&#175;g           > 00 BC D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000167AFD7BC00, 320 bytes long.
 Data: < i&#217;&#175;g   &#192;	&#217;&#175;g   > 10 69 D9 AF 67 01 00 00 C0 09 D9 AF 67 01 00 00 
{278} normal block at 0x00000167AFD965A0, 16 bytes long.
 Data: < r&#217;&#175;g           > 00 72 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000167AFD96230, 16 bytes long.
 Data: <&#216;q&#217;&#175;g           > D8 71 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000167AFD907E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000167AFD96D20, 16 bytes long.
 Data: <&#176;q&#217;&#175;g           > B0 71 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000167AFD8FD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000167AFD96CD0, 16 bytes long.
 Data: <&#248;p&#217;&#175;g           > F8 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000167AFD96C30, 16 bytes long.
 Data: <&#208;p&#217;&#175;g           > D0 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000167AFD965F0, 16 bytes long.
 Data: <&#168;p&#217;&#175;g           > A8 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000167AFD96870, 16 bytes long.
 Data: < p&#217;&#175;g           > 80 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000167AFD968C0, 16 bytes long.
 Data: <Xp&#217;&#175;g           > 58 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000167AFD96AA0, 16 bytes long.
 Data: <0p&#217;&#175;g           > 30 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000167AFD969B0, 16 bytes long.
 Data: < W&#217;&#175;g           > 00 57 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000167AFD95700, 40 bytes long.
 Data: <&#176;i&#217;&#175;g   0&#138;&#168;&#177;g   > B0 69 D9 AF 67 01 00 00 30 8A A8 B1 67 01 00 00 
{264} normal block at 0x00000167AFD967D0, 16 bytes long.
 Data: < p&#217;&#175;g           > 10 70 D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000167AFD960F0, 16 bytes long.
 Data: <&#232;o&#217;&#175;g           > E8 6F D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000167AFD902A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000167AFD96280, 16 bytes long.
 Data: <&#192;o&#217;&#175;g           > C0 6F D9 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000167AFD96FC0, 992 bytes long.
 Data: < b&#217;&#175;g   &#160; &#217;&#175;g   > 80 62 D9 AF 67 01 00 00 A0 02 D9 AF 67 01 00 00 
{96} normal block at 0x00000167AFD90960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000167AFD8E930, 16 bytes long.
 Data: < &#201;&#215;&#175;g           > 00 C9 D7 AF 67 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000167AFD7C900, 40 bytes long.
 Data: <0&#233;&#216;&#175;g   `	&#217;&#175;g   > 30 E9 D8 AF 67 01 00 00 60 09 D9 AF 67 01 00 00 
{73} normal block at 0x00000167AFD8E3E0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000167AFD8E5C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000167AFD8DBC0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000167AFD8E020, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000167AFD8E2F0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000167AFD8E2A0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000167AFD8E390, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000167AFD8E980, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000167AFD8DD50, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000167AFD8E250, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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