Task 38685403

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8877_0
Workunit 31626870
Created 27 Oct 2026, 20:52:56 UTC
Sent 27 Oct 2026, 20:52:58 UTC
Report deadline 1 Nov 2026, 20:52:58 UTC
Received 27 Oct 2026, 22:23:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 44 min 39 sec
CPU time 40 min 58 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 721.46 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:39:58 (41528): wrapper (7.9.26016): starting
15:39:58 (41528): 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
15:40:00 (41528): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:40:00 (41528): 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
16:23:09 (41528): C:/Windows/system32/cmd.exe exited; CPU time 2458.328125
16:23:09 (41528): 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: 61202337 bytes.
Dumping objects ->
{3835483} normal block at 0x000002AD77B8CF80, 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 0x000002AD75E54AC0, 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 0x000002AD75E54A50, 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 0x000002AD75E54900, 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 0x000002AD75E549E0, 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 0x000002AD77BD5100, 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 0x000002AD75E50DB0, 8 bytes long.
 Data: <  &#226;u&#173;   > 00 00 E2 75 AD 02 00 00 
{3833957} normal block at 0x000002AD75E51800, 8 bytes long.
 Data: <&#176;A&#229;u&#173;   > B0 41 E5 75 AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002AD75E46B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AD75E47BA0, 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 0x000002AD75E56290, 16 bytes long.
 Data: < g&#229;u&#173;           > 18 67 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AD75E557F0, 16 bytes long.
 Data: <&#240;f&#229;u&#173;           > F0 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AD75E4FE90, 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 0x000002AD75E557A0, 16 bytes long.
 Data: <&#200;f&#229;u&#173;           > C8 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AD75E560B0, 16 bytes long.
 Data: <&#160;f&#229;u&#173;           > A0 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AD75E561A0, 16 bytes long.
 Data: <xf&#229;u&#173;           > 78 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AD75E56100, 16 bytes long.
 Data: <Pf&#229;u&#173;           > 50 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AD75E54DD0, 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 0x000002AD75E56150, 16 bytes long.
 Data: < &#185;&#227;u&#173;           > 08 B9 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AD75E500D0, 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 0x000002AD75E55E30, 16 bytes long.
 Data: <&#224;&#184;&#227;u&#173;           > E0 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AD75E561F0, 16 bytes long.
 Data: <&#184;&#184;&#227;u&#173;           > B8 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AD75E56240, 16 bytes long.
 Data: < &#184;&#227;u&#173;           > 90 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AD75E55930, 16 bytes long.
 Data: <h&#184;&#227;u&#173;           > 68 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AD75E55520, 16 bytes long.
 Data: <@&#184;&#227;u&#173;           > 40 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AD75E558E0, 16 bytes long.
 Data: < &#184;&#227;u&#173;           > 18 B8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AD75E4F9B0, 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 0x000002AD75E56060, 16 bytes long.
 Data: <&#240;&#183;&#227;u&#173;           > F0 B7 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AD75E3B7F0, 320 bytes long.
 Data: <``&#229;u&#173;   &#176;&#249;&#228;u&#173;   > 60 60 E5 75 AD 02 00 00 B0 F9 E4 75 AD 02 00 00 
{274} normal block at 0x000002AD75E55CF0, 16 bytes long.
 Data: <0f&#229;u&#173;           > 30 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AD75E55CA0, 16 bytes long.
 Data: < f&#229;u&#173;           > 08 66 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AD75E50430, 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 0x000002AD75E56010, 16 bytes long.
 Data: <&#224;e&#229;u&#173;           > E0 65 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AD75E50610, 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 0x000002AD75E559D0, 16 bytes long.
 Data: <(e&#229;u&#173;           > 28 65 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AD75E55FC0, 16 bytes long.
 Data: < e&#229;u&#173;           > 00 65 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AD75E55C00, 16 bytes long.
 Data: <&#216;d&#229;u&#173;           > D8 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AD75E55ED0, 16 bytes long.
 Data: <&#176;d&#229;u&#173;           > B0 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AD75E55750, 16 bytes long.
 Data: < d&#229;u&#173;           > 88 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AD75E55E80, 16 bytes long.
 Data: <`d&#229;u&#173;           > 60 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AD75E55B60, 16 bytes long.
 Data: <0K&#229;u&#173;           > 30 4B E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AD75E54B30, 40 bytes long.
 Data: <`[&#229;u&#173;    Q&#189;w&#173;   > 60 5B E5 75 AD 02 00 00 00 51 BD 77 AD 02 00 00 
{260} normal block at 0x000002AD75E55430, 16 bytes long.
 Data: <@d&#229;u&#173;           > 40 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AD75E55570, 16 bytes long.
 Data: < d&#229;u&#173;           > 18 64 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AD75E4FAD0, 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 0x000002AD75E55BB0, 16 bytes long.
 Data: <&#240;c&#229;u&#173;           > F0 63 E5 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002AD75E563F0, 992 bytes long.
 Data: <&#176;[&#229;u&#173;   &#208;&#250;&#228;u&#173;   > B0 5B E5 75 AD 02 00 00 D0 FA E4 75 AD 02 00 00 
{92} normal block at 0x000002AD75E4FC50, 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 0x000002AD75E51530, 16 bytes long.
 Data: <0&#232;&#227;u&#173;           > 30 E8 E3 75 AD 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002AD75E3E830, 40 bytes long.
 Data: <0 &#229;u&#173;   P&#252;&#228;u&#173;   > 30 15 E5 75 AD 02 00 00 50 FC E4 75 AD 02 00 00 
{69} normal block at 0x000002AD75E512B0, 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 0x000002AD75E51440, 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 0x000002AD75E50F40, 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 0x000002AD75E50A40, 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 0x000002AD75E51120, 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 0x000002AD75E51080, 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 0x000002AD75E510D0, 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 0x000002AD75E50D10, 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 0x000002AD75E50BD0, 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 0x000002AD75E51300, 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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