Task 38678392

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9048_0
Workunit 31620213
Created 26 Oct 2026, 17:15:32 UTC
Sent 26 Oct 2026, 17:15:37 UTC
Report deadline 31 Oct 2026, 17:15:37 UTC
Received 26 Oct 2026, 18:44:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520259
Run time 39 min 8 sec
CPU time 31 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,445.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.32 MB
Peak swap size 3.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:06:20 (19816): wrapper (7.9.26016): starting
19:06:20 (19816): 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
19:06:22 (19816): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:06:22 (19816): 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
19:44:19 (19816): C:/Windows/system32/cmd.exe exited; CPU time 1872.718750
19:44:19 (19816): 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: 32256815 bytes.
Dumping objects ->
{3835227} normal block at 0x000001E8F47E6C60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x000001E8F47E6BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001E8F47E69C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x000001E8F47E6CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001E8F47E6B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x000001E8F64A7F00, 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) : {3835139} normal block at 0x000001E8F47DDCB0, 8 bytes long.
 Data: <  &#195;&#244;&#232;   > 00 00 C3 F4 E8 01 00 00 
{3833955} normal block at 0x000001E8F47DDB20, 8 bytes long.
 Data: <p&#222;|&#244;&#232;   > 70 DE 7C F4 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E8F47E2310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E8F47D6310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001E8F47E58F0, 16 bytes long.
 Data: <&#248;d~&#244;&#232;           > F8 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E8F47E52B0, 16 bytes long.
 Data: <&#208;d~&#244;&#232;           > D0 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E8F47E05C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001E8F47E54E0, 16 bytes long.
 Data: <&#168;d~&#244;&#232;           > A8 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E8F47E5DF0, 16 bytes long.
 Data: < d~&#244;&#232;           > 80 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E8F47E5350, 16 bytes long.
 Data: <Xd~&#244;&#232;           > 58 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E8F47E5A30, 16 bytes long.
 Data: <0d~&#244;&#232;           > 30 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E8F47E6AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001E8F47E5DA0, 16 bytes long.
 Data: <&#200;&#249;|&#244;&#232;           > C8 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E8F47DF8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001E8F47E5D50, 16 bytes long.
 Data: <&#160;&#249;|&#244;&#232;           > A0 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8F47E5CB0, 16 bytes long.
 Data: <x&#249;|&#244;&#232;           > 78 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8F47E5850, 16 bytes long.
 Data: <P&#249;|&#244;&#232;           > 50 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E8F47E6110, 16 bytes long.
 Data: <(&#249;|&#244;&#232;           > 28 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E8F47E5D00, 16 bytes long.
 Data: < &#249;|&#244;&#232;           > 00 F9 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E8F47E5260, 16 bytes long.
 Data: <&#216;&#248;|&#244;&#232;           > D8 F8 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E8F47E0500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001E8F47E5C10, 16 bytes long.
 Data: <&#176;&#248;|&#244;&#232;           > B0 F8 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E8F47CF8B0, 320 bytes long.
 Data: < \~&#244;&#232;     ~&#244;&#232;   > 10 5C 7E F4 E8 01 00 00 00 05 7E F4 E8 01 00 00 
{273} normal block at 0x000001E8F47E5760, 16 bytes long.
 Data: < d~&#244;&#232;           > 10 64 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E8F47E5710, 16 bytes long.
 Data: <&#232;c~&#244;&#232;           > E8 63 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E8F47E04A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001E8F47E5800, 16 bytes long.
 Data: <&#192;c~&#244;&#232;           > C0 63 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E8F47DFDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001E8F47E5E90, 16 bytes long.
 Data: < c~&#244;&#232;           > 08 63 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8F47E60C0, 16 bytes long.
 Data: <&#224;b~&#244;&#232;           > E0 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E8F47E5670, 16 bytes long.
 Data: <&#184;b~&#244;&#232;           > B8 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8F47E5210, 16 bytes long.
 Data: < b~&#244;&#232;           > 90 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E8F47E55D0, 16 bytes long.
 Data: <hb~&#244;&#232;           > 68 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E8F47E5C60, 16 bytes long.
 Data: <@b~&#244;&#232;           > 40 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E8F47E5620, 16 bytes long.
 Data: <&#176;&#245;|&#244;&#232;           > B0 F5 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E8F47CF5B0, 40 bytes long.
 Data: < V~&#244;&#232;     J&#246;&#232;   > 20 56 7E F4 E8 01 00 00 00 7F 4A F6 E8 01 00 00 
{259} normal block at 0x000001E8F47E5BC0, 16 bytes long.
 Data: < b~&#244;&#232;           > 20 62 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E8F47E5B70, 16 bytes long.
 Data: <&#248;a~&#244;&#232;           > F8 61 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E8F47E0680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001E8F47E6160, 16 bytes long.
 Data: <&#208;a~&#244;&#232;           > D0 61 7E F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E8F47E61D0, 992 bytes long.
 Data: <`a~&#244;&#232;     ~&#244;&#232;   > 60 61 7E F4 E8 01 00 00 80 06 7E F4 E8 01 00 00 
{91} normal block at 0x000001E8F47E0080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001E8F47DDF80, 16 bytes long.
 Data: <p&#205;|&#244;&#232;           > 70 CD 7C F4 E8 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001E8F47CCD70, 40 bytes long.
 Data: < &#223;}&#244;&#232;     ~&#244;&#232;   > 80 DF 7D F4 E8 01 00 00 80 00 7E F4 E8 01 00 00 
{68} normal block at 0x000001E8F47DD580, 16 bytes long.
 Data: < &#234;&#140;&#247;&#247;           > 80 EA 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E8F47DE110, 16 bytes long.
 Data: <@&#233;&#140;&#247;&#247;           > 40 E9 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E8F47DE070, 16 bytes long.
 Data: <&#248;W&#137;&#247;&#247;           > F8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E8F47DDAD0, 16 bytes long.
 Data: <&#216;W&#137;&#247;&#247;           > D8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E8F47DDDF0, 16 bytes long.
 Data: <P &#137;&#247;&#247;           > 50 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E8F47DE0C0, 16 bytes long.
 Data: <0 &#137;&#247;&#247;           > 30 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E8F47DE020, 16 bytes long.
 Data: <&#224; &#137;&#247;&#247;           > E0 02 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E8F47DDE90, 16 bytes long.
 Data: <  &#137;&#247;&#247;           > 10 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E8F47DDEE0, 16 bytes long.
 Data: <p &#137;&#247;&#247;           > 70 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E8F47DDD50, 16 bytes long.
 Data: < &#192;&#135;&#247;&#247;           > 18 C0 87 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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