Task 38696211

Name test_619-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4484_0
Workunit 31636855
Created 31 Oct 2026, 20:39:42 UTC
Sent 31 Oct 2026, 20:39:48 UTC
Report deadline 5 Nov 2026, 20:39:48 UTC
Received 1 Nov 2026, 0:24:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 45 min 55 sec
CPU time 43 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.95 MB
Peak swap size 12.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
00:13:02 (20452): wrapper (7.9.26016): starting
00:13:02 (20452): 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
00:13:03 (20452): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:13:03 (20452): 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:\boinc\slots\8\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:\boinc\slots\8\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
00:56:49 (20452): C:/Windows/system32/cmd.exe exited; CPU time 2599.171875
00:56:49 (20452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 44972025 bytes.
Dumping objects ->
{3835301} normal block at 0x0000016A2B473F50, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x0000016A2D1D3E50, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x0000016A2D1D3DF0, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x0000016A2D1D3D90, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x0000016A2D1D3010, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x0000016A2B474570, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x0000016A2D19D3E0, 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) : {3835212} normal block at 0x0000016A2B46E7D0, 8 bytes long.
 Data: <  &#134;+j   > 00 00 86 2B 6A 01 00 00 
{3834573} normal block at 0x0000016A2D19D8B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000016A2B46EE10, 8 bytes long.
 Data: <&#176;9 -j   > B0 39 1E 2D 6A 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000016A2B465680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016A2B4668E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000016A2B475290, 16 bytes long.
 Data: <&#200;IG+j           > C8 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016A2B475060, 16 bytes long.
 Data: <&#160;IG+j           > A0 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016A2B46F860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000016A2B474C50, 16 bytes long.
 Data: <xIG+j           > 78 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016A2B475240, 16 bytes long.
 Data: <PIG+j           > 50 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016A2B475740, 16 bytes long.
 Data: <(IG+j           > 28 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016A2B474D40, 16 bytes long.
 Data: < IG+j           > 00 49 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016A2B473EE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000016A2B475650, 16 bytes long.
 Data: < &#147;F+j           > 98 93 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016A2B4702E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000016A2B4755B0, 16 bytes long.
 Data: <p&#147;F+j           > 70 93 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016A2B475100, 16 bytes long.
 Data: <H&#147;F+j           > 48 93 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016A2B4758D0, 16 bytes long.
 Data: < &#147;F+j           > 20 93 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016A2B475010, 16 bytes long.
 Data: <&#248;&#146;F+j           > F8 92 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016A2B474B10, 16 bytes long.
 Data: <&#208;&#146;F+j           > D0 92 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016A2B474DE0, 16 bytes long.
 Data: <&#168;&#146;F+j           > A8 92 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016A2B46FCE0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{268} normal block at 0x0000016A2B4751A0, 16 bytes long.
 Data: < &#146;F+j           > 80 92 46 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016A2B469280, 320 bytes long.
 Data: <&#160;QG+j   &#224;&#252;F+j   > A0 51 47 2B 6A 01 00 00 E0 FC 46 2B 6A 01 00 00 
{266} normal block at 0x0000016A2B474D90, 16 bytes long.
 Data: <&#224;HG+j           > E0 48 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016A2B4751F0, 16 bytes long.
 Data: <&#184;HG+j           > B8 48 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016A2B4704C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000016A2B475A10, 16 bytes long.
 Data: < HG+j           > 90 48 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016A2B4701C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000016A2B4756A0, 16 bytes long.
 Data: <&#216;GG+j           > D8 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016A2B474F70, 16 bytes long.
 Data: <&#176;GG+j           > B0 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016A2B474B60, 16 bytes long.
 Data: < GG+j           > 88 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016A2B475A60, 16 bytes long.
 Data: <`GG+j           > 60 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016A2B46F540, 16 bytes long.
 Data: <8GG+j           > 38 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016A2B46E870, 16 bytes long.
 Data: < GG+j           > 10 47 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016A2B46EF50, 16 bytes long.
 Data: < DG+j           > 20 44 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016A2B474420, 40 bytes long.
 Data: <P&#239;F+j   pEG+j   > 50 EF 46 2B 6A 01 00 00 70 45 47 2B 6A 01 00 00 
{252} normal block at 0x0000016A2B46F450, 16 bytes long.
 Data: <&#240;FG+j           > F0 46 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016A2B46EB40, 16 bytes long.
 Data: <&#200;FG+j           > C8 46 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000016A2B470640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000016A2B46F400, 16 bytes long.
 Data: <&#160;FG+j           > A0 46 47 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000016A2B4746A0, 992 bytes long.
 Data: < &#244;F+j   @ G+j   > 00 F4 46 2B 6A 01 00 00 40 06 47 2B 6A 01 00 00 
{84} normal block at 0x0000016A2B46F800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000016A2B46EC80, 16 bytes long.
 Data: < &#222;E+j           > 80 DE 45 2B 6A 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000016A2B45DE80, 40 bytes long.
 Data: < &#236;F+j    &#248;F+j   > 80 EC 46 2B 6A 01 00 00 00 F8 46 2B 6A 01 00 00 
{61} normal block at 0x0000016A2B46F0E0, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016A2B46EFF0, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016A2B46F130, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016A2B46E910, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016A2B46F040, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016A2B46E820, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016A2B46EAF0, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000016A2B46ED70, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000016A2B46EB90, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000016A2B46EAA0, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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