Task 38670309

Name test_199-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4382_0
Workunit 31612565
Created 25 Oct 2026, 17:07:12 UTC
Sent 25 Oct 2026, 17:07:16 UTC
Report deadline 30 Oct 2026, 17:07:16 UTC
Received 25 Oct 2026, 17:46:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 30 sec
CPU time 19 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.09 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:26:59 (23260): wrapper (7.9.26016): starting
13:26:59 (23260): 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
13:27:00 (23260): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:27:00 (23260): 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
13:45:48 (23260): C:/Windows/system32/cmd.exe exited; CPU time 1143.890625
13:45:48 (23260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 15995515 bytes.
Dumping objects ->
{3835562} normal block at 0x000002696176B950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x000002696176B020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000002696176AB50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x000002696176B640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x000002696176B1E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x000002696176A5C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000002696359E7D0, 102 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) : {3835473} normal block at 0x000002696173F830, 8 bytes long.
 Data: <  "ci   > 00 00 22 63 69 02 00 00 
{3834695} normal block at 0x000002696359EE00, 102 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 0x000002696173F010, 8 bytes long.
 Data: <&#208;H^ci   > D0 48 5E 63 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026961741120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026961736230, 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 0x00000269617466B0, 16 bytes long.
 Data: <&#168;Wtai           > A8 57 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000269617464D0, 16 bytes long.
 Data: < Wtai           > 80 57 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026961740110, 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 0x0000026961745B20, 16 bytes long.
 Data: <XWtai           > 58 57 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026961746610, 16 bytes long.
 Data: <0Wtai           > 30 57 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269617462F0, 16 bytes long.
 Data: < Wtai           > 08 57 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000269617462A0, 16 bytes long.
 Data: <&#224;Vtai           > E0 56 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026961743E30, 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 0x0000026961745A30, 16 bytes long.
 Data: <&#232;&#182;rai           > E8 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002696173F990, 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 0x00000269617465C0, 16 bytes long.
 Data: <&#192;&#182;rai           > C0 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026961746480, 16 bytes long.
 Data: < &#182;rai           > 98 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026961746570, 16 bytes long.
 Data: <p&#182;rai           > 70 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026961745AD0, 16 bytes long.
 Data: <H&#182;rai           > 48 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026961745940, 16 bytes long.
 Data: < &#182;rai           > 20 B6 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000269617459E0, 16 bytes long.
 Data: <&#248;&#181;rai           > F8 B5 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026961740650, 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 0x0000026961746340, 16 bytes long.
 Data: <&#208;&#181;rai           > D0 B5 72 61 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002696172B5D0, 320 bytes long.
 Data: <@ctai   P tai   > 40 63 74 61 69 02 00 00 50 06 74 61 69 02 00 00 
{279} normal block at 0x0000026961745B70, 16 bytes long.
 Data: <&#192;Vtai           > C0 56 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026961745A80, 16 bytes long.
 Data: < Vtai           > 98 56 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000269617406B0, 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 0x0000026961745990, 16 bytes long.
 Data: <pVtai           > 70 56 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002696173FD50, 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 0x0000026961745FD0, 16 bytes long.
 Data: <&#184;Utai           > B8 55 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026961746660, 16 bytes long.
 Data: < Utai           > 90 55 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026961746520, 16 bytes long.
 Data: <hUtai           > 68 55 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026961746700, 16 bytes long.
 Data: <@Utai           > 40 55 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026961745F80, 16 bytes long.
 Data: < Utai           > 18 55 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002696173F600, 16 bytes long.
 Data: <&#240;Ttai           > F0 54 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002696173F3D0, 16 bytes long.
 Data: <&#240;8tai           > F0 38 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000269617438F0, 40 bytes long.
 Data: <&#208;&#243;sai   &#192;&#165;vai   > D0 F3 73 61 69 02 00 00 C0 A5 76 61 69 02 00 00 
{265} normal block at 0x000002696173EED0, 16 bytes long.
 Data: <&#208;Ttai           > D0 54 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002696173F790, 16 bytes long.
 Data: <&#168;Ttai           > A8 54 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002696173FFF0, 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 0x000002696173F740, 16 bytes long.
 Data: < Ttai           > 80 54 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026961745480, 992 bytes long.
 Data: <@&#247;sai   &#240;&#255;sai   > 40 F7 73 61 69 02 00 00 F0 FF 73 61 69 02 00 00 
{97} normal block at 0x000002696173FB70, 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 0x000002696173ECA0, 16 bytes long.
 Data: < <tai           > 00 3C 74 61 69 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000026961743C00, 40 bytes long.
 Data: <&#160;&#236;sai   p&#251;sai   > A0 EC 73 61 69 02 00 00 70 FB 73 61 69 02 00 00 
{74} normal block at 0x000002696173F150, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002696173EC50, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002696173F290, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002696173EE80, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002696173EA20, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002696173ED90, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002696173ECF0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002696173F240, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002696173E9D0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002696173F2E0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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