Task 38697773

Name test_899-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5593_0
Workunit 31638326
Created 1 Nov 2026, 21:13:50 UTC
Sent 1 Nov 2026, 21:13:54 UTC
Report deadline 6 Nov 2026, 21:13:54 UTC
Received 1 Nov 2026, 23:38:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619020
Run time 1 hours 52 min 16 sec
CPU time 1 hours 47 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,050.01 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.76 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:47:07 (26752): wrapper (7.9.26016): starting
22:47:07 (26752): 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
22:47:09 (26752): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:47:09 (26752): 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 'H:\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 'H:\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
00:37:32 (26752): C:/Windows/system32/cmd.exe exited; CPU time 6433.484375
00:37:32 (26752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 137696369 bytes.
Dumping objects ->
{3835226} normal block at 0x00000233CD540C30, 48 bytes long.
 Data: <PATH=H:\BOINC\sl> 50 41 54 48 3D 48 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835215} normal block at 0x00000233CD6C81B0, 32 bytes long.
 Data: <HOME=H:\BOINC\sl> 48 4F 4D 45 3D 48 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835204} normal block at 0x00000233CD6C8150, 32 bytes long.
 Data: <TMP=H:\BOINC\slo> 54 4D 50 3D 48 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835193} normal block at 0x00000233CD6C82D0, 32 bytes long.
 Data: <TEMP=H:\BOINC\sl> 54 45 4D 50 3D 48 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835182} normal block at 0x00000233CD6C84B0, 32 bytes long.
 Data: <TMPDIR=H:\BOINC\> 54 4D 50 44 49 52 3D 48 3A 5C 42 4F 49 4E 43 5C 
{3835151} normal block at 0x00000233CD5416B0, 48 bytes long.
 Data: <PATH=H:\BOINC\sl> 50 41 54 48 3D 48 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835140} normal block at 0x00000233CBA6EC40, 140 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) : {3835137} normal block at 0x00000233CBA18570, 8 bytes long.
 Data: <  &#156;&#203;3   > 00 00 9C CB 33 02 00 00 
{3834545} normal block at 0x00000233CBA707E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000233CBA187F0, 8 bytes long.
 Data: <PVp&#205;3   > 50 56 70 CD 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000233CBA23410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000233CBA07570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000233CBA24C20, 16 bytes long.
 Data: <&#248;[&#162;&#203;3           > F8 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000233CBA24950, 16 bytes long.
 Data: <&#208;[&#162;&#203;3           > D0 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000233CBA1D600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000233CBA247C0, 16 bytes long.
 Data: <&#168;[&#162;&#203;3           > A8 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000233CBA24720, 16 bytes long.
 Data: < [&#162;&#203;3           > 80 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000233CBA248B0, 16 bytes long.
 Data: <X[&#162;&#203;3           > 58 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000233CBA246D0, 16 bytes long.
 Data: <0[&#162;&#203;3           > 30 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000233CBA1CD50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000233CBA24DB0, 16 bytes long.
 Data: < &#254;&#161;&#203;3           > 18 FE A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000233CBA1E260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000233CBA24680, 16 bytes long.
 Data: <&#240;&#253;&#161;&#203;3           > F0 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000233CBA24630, 16 bytes long.
 Data: <&#200;&#253;&#161;&#203;3           > C8 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000233CBA24EF0, 16 bytes long.
 Data: <&#160;&#253;&#161;&#203;3           > A0 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000233CBA25030, 16 bytes long.
 Data: <x&#253;&#161;&#203;3           > 78 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000233CBA24590, 16 bytes long.
 Data: <P&#253;&#161;&#203;3           > 50 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000233CBA24540, 16 bytes long.
 Data: <(&#253;&#161;&#203;3           > 28 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233CBA1D5A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000233CBA24D60, 16 bytes long.
 Data: < &#253;&#161;&#203;3           > 00 FD A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233CBA1FD00, 320 bytes long.
 Data: <`M&#162;&#203;3   &#160;&#213;&#161;&#203;3   > 60 4D A2 CB 33 02 00 00 A0 D5 A1 CB 33 02 00 00 
{279} normal block at 0x00000233CBA25080, 16 bytes long.
 Data: < [&#162;&#203;3           > 10 5B A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000233CBA251C0, 16 bytes long.
 Data: <&#232;Z&#162;&#203;3           > E8 5A A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000233CBA1D9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000233CBA24900, 16 bytes long.
 Data: <&#192;Z&#162;&#203;3           > C0 5A A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000233CBA1D900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000233CBA244A0, 16 bytes long.
 Data: < Z&#162;&#203;3           > 08 5A A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000233CBA24A40, 16 bytes long.
 Data: <&#224;Y&#162;&#203;3           > E0 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000233CBA24860, 16 bytes long.
 Data: <&#184;Y&#162;&#203;3           > B8 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000233CBA24BD0, 16 bytes long.
 Data: < Y&#162;&#203;3           > 90 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000233CBA24E00, 16 bytes long.
 Data: <hY&#162;&#203;3           > 68 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000233CBA24B80, 16 bytes long.
 Data: <@Y&#162;&#203;3           > 40 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000233CBA243B0, 16 bytes long.
 Data: <`&#208;&#161;&#203;3           > 60 D0 A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000233CBA1D060, 40 bytes long.
 Data: <&#176;C&#162;&#203;3   &#176; T&#205;3   > B0 43 A2 CB 33 02 00 00 B0 16 54 CD 33 02 00 00 
{265} normal block at 0x00000233CBA24450, 16 bytes long.
 Data: < Y&#162;&#203;3           > 20 59 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000233CBA249F0, 16 bytes long.
 Data: <&#248;X&#162;&#203;3           > F8 58 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000233CBA1DD20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000233CBA24810, 16 bytes long.
 Data: <&#208;X&#162;&#203;3           > D0 58 A2 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000233CBA258D0, 992 bytes long.
 Data: < H&#162;&#203;3    &#221;&#161;&#203;3   > 10 48 A2 CB 33 02 00 00 20 DD A1 CB 33 02 00 00 
{97} normal block at 0x00000233CBA1DCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000233CBA18520, 16 bytes long.
 Data: <&#160;&#206;&#161;&#203;3           > A0 CE A1 CB 33 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000233CBA1CEA0, 40 bytes long.
 Data: < &#133;&#161;&#203;3   &#192;&#220;&#161;&#203;3   > 20 85 A1 CB 33 02 00 00 C0 DC A1 CB 33 02 00 00 
{74} normal block at 0x00000233CBA18340, 16 bytes long.
 Data: < &#234;&#240;&#245;&#246;           > 80 EA F0 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000233CBA18750, 16 bytes long.
 Data: <@&#233;&#240;&#245;&#246;           > 40 E9 F0 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000233CBA18D40, 16 bytes long.
 Data: <&#248;W&#237;&#245;&#246;           > F8 57 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000233CBA18CF0, 16 bytes long.
 Data: <&#216;W&#237;&#245;&#246;           > D8 57 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000233CBA18BB0, 16 bytes long.
 Data: <P &#237;&#245;&#246;           > 50 04 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000233CBA18B60, 16 bytes long.
 Data: <0 &#237;&#245;&#246;           > 30 04 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000233CBA181B0, 16 bytes long.
 Data: <&#224; &#237;&#245;&#246;           > E0 02 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000233CBA18430, 16 bytes long.
 Data: <  &#237;&#245;&#246;           > 10 04 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000233CBA18AC0, 16 bytes long.
 Data: <p &#237;&#245;&#246;           > 70 04 ED F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000233CBA18160, 16 bytes long.
 Data: < &#192;&#235;&#245;&#246;           > 18 C0 EB F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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