Task 38697138

Name test_391-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7474_0
Workunit 31637726
Created 1 Nov 2026, 9:39:46 UTC
Sent 1 Nov 2026, 9:39:50 UTC
Report deadline 6 Nov 2026, 9:39:50 UTC
Received 1 Nov 2026, 11:26:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604442
Run time 59 min 52 sec
CPU time 59 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.98 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:26:01 (13768): wrapper (7.9.26016): starting
04:26:01 (13768): 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
04:26:02 (13768): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:26:02 (13768): 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
05:25:22 (13768): C:/Windows/system32/cmd.exe exited; CPU time 3592.093750
05:25:22 (13768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 57453526 bytes.
Dumping objects ->
{3835452} normal block at 0x000002DB71A02AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x000002DB71A02D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x000002DB71A03410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835419} normal block at 0x000002DB71A03720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835408} normal block at 0x000002DB71A02DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835377} normal block at 0x000002DB73650B30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835366} normal block at 0x000002DB736B0AF0, 85 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) : {3835363} normal block at 0x000002DB719B1D10, 8 bytes long.
 Data: <  &#231;q&#219;   > 00 00 E7 71 DB 02 00 00 
{3834668} normal block at 0x000002DB736B0230, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002DB719B1720, 8 bytes long.
 Data: <&#160;cos&#219;   > A0 63 6F 73 DB 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002DB719ACFE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002DB719A6070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002DB719B9BF0, 16 bytes long.
 Data: <x&#165;&#155;q&#219;           > 78 A5 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002DB719B9AB0, 16 bytes long.
 Data: <P&#165;&#155;q&#219;           > 50 A5 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002DB719B4850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002DB719B96F0, 16 bytes long.
 Data: <(&#165;&#155;q&#219;           > 28 A5 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002DB719B9C40, 16 bytes long.
 Data: < &#165;&#155;q&#219;           > 00 A5 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002DB719B9A60, 16 bytes long.
 Data: <&#216;&#164;&#155;q&#219;           > D8 A4 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DB719B9A10, 16 bytes long.
 Data: <&#176;&#164;&#155;q&#219;           > B0 A4 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002DB719B33B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002DB719B99C0, 16 bytes long.
 Data: < &#233; q&#219;           > 98 E9 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DB719B4F70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002DB719B9970, 16 bytes long.
 Data: <p&#233; q&#219;           > 70 E9 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002DB719B9380, 16 bytes long.
 Data: <H&#233; q&#219;           > 48 E9 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DB719B97E0, 16 bytes long.
 Data: < &#233; q&#219;           > 20 E9 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002DB719BA000, 16 bytes long.
 Data: <&#248;&#232; q&#219;           > F8 E8 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DB719B9600, 16 bytes long.
 Data: <&#208;&#232; q&#219;           > D0 E8 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DB719B9CE0, 16 bytes long.
 Data: <&#168;&#232; q&#219;           > A8 E8 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002DB719B53F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002DB719B9920, 16 bytes long.
 Data: < &#232; q&#219;           > 80 E8 99 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002DB7199E880, 320 bytes long.
 Data: <  &#155;q&#219;   &#240;S&#155;q&#219;   > 20 99 9B 71 DB 02 00 00 F0 53 9B 71 DB 02 00 00 
{275} normal block at 0x000002DB719B94C0, 16 bytes long.
 Data: < &#164;&#155;q&#219;           > 90 A4 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DB719B96A0, 16 bytes long.
 Data: <h&#164;&#155;q&#219;           > 68 A4 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DB719B4A90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002DB719B98D0, 16 bytes long.
 Data: <@&#164;&#155;q&#219;           > 40 A4 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002DB719B4EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002DB719B9880, 16 bytes long.
 Data: < &#163;&#155;q&#219;           > 88 A3 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DB719B9330, 16 bytes long.
 Data: <`&#163;&#155;q&#219;           > 60 A3 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002DB719B9290, 16 bytes long.
 Data: <8&#163;&#155;q&#219;           > 38 A3 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002DB719B9DD0, 16 bytes long.
 Data: < &#163;&#155;q&#219;           > 10 A3 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DB719BA050, 16 bytes long.
 Data: <&#232;&#162;&#155;q&#219;           > E8 A2 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002DB719B9FB0, 16 bytes long.
 Data: <&#192;&#162;&#155;q&#219;           > C0 A2 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002DB719B95B0, 16 bytes long.
 Data: <P6&#155;q&#219;           > 50 36 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002DB719B3650, 40 bytes long.
 Data: <&#176;&#149;&#155;q&#219;   0 es&#219;   > B0 95 9B 71 DB 02 00 00 30 0B 65 73 DB 02 00 00 
{261} normal block at 0x000002DB719B9E20, 16 bytes long.
 Data: <&#160;&#162;&#155;q&#219;           > A0 A2 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002DB719B93D0, 16 bytes long.
 Data: <x&#162;&#155;q&#219;           > 78 A2 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002DB719B4D90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002DB719B92E0, 16 bytes long.
 Data: <P&#162;&#155;q&#219;           > 50 A2 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002DB719BA250, 992 bytes long.
 Data: <&#224;&#146;&#155;q&#219;    M&#155;q&#219;   > E0 92 9B 71 DB 02 00 00 90 4D 9B 71 DB 02 00 00 
{93} normal block at 0x000002DB719B4CD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002DB719B1090, 16 bytes long.
 Data: <@3&#155;q&#219;           > 40 33 9B 71 DB 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002DB719B3340, 40 bytes long.
 Data: <  &#155;q&#219;   &#208;L&#155;q&#219;   > 90 10 9B 71 DB 02 00 00 D0 4C 9B 71 DB 02 00 00 
{70} normal block at 0x000002DB719B1400, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002DB719B1CC0, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002DB719B1C70, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002DB719B11D0, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002DB719B15E0, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002DB719B1130, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002DB719B1C20, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002DB719B1BD0, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002DB719B10E0, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002DB719B1F40, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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