Task 38662257

Name test_455-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7215_0
Workunit 31605524
Created 24 Oct 2026, 18:28:55 UTC
Sent 24 Oct 2026, 18:29:06 UTC
Report deadline 29 Oct 2026, 18:29:06 UTC
Received 24 Oct 2026, 22:20:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 37 min 40 sec
CPU time 34 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.81 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:59:39 (7648): wrapper (7.9.26016): starting
20:59:39 (7648): 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
20:59:40 (7648): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:59:40 (7648): 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 'D:\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 'D:\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
21:35:44 (7648): C:/Windows/system32/cmd.exe exited; CPU time 2087.296875
21:35:44 (7648): 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: 33137868 bytes.
Dumping objects ->
{3835280} normal block at 0x000002AFBDE816B0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000002AFBDE81100, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000002AFBDE80920, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000002AFBDE81560, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002AFBDE81090, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000002AFBE017C30, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000002AFBE02E890, 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) : {3835191} normal block at 0x000002AFBC3F8520, 8 bytes long.
 Data: <  <&#188;&#175;   > 00 00 3C BC AF 02 00 00 
{3834566} normal block at 0x000002AFBE02E1B0, 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 0x000002AFBC3F8CA0, 8 bytes long.
 Data: < B &#190;&#175;   > 90 42 07 BE AF 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002AFBC4031B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AFBC3E6890, 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 0x000002AFBC404740, 16 bytes long.
 Data: <&#168;V@&#188;&#175;           > A8 56 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AFBC4046A0, 16 bytes long.
 Data: < V@&#188;&#175;           > 80 56 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AFBC3FD4E0, 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 0x000002AFBC404650, 16 bytes long.
 Data: <XV@&#188;&#175;           > 58 56 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AFBC404C90, 16 bytes long.
 Data: <0V@&#188;&#175;           > 30 56 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AFBC4045B0, 16 bytes long.
 Data: < V@&#188;&#175;           > 08 56 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AFBC404EC0, 16 bytes long.
 Data: <&#224;U@&#188;&#175;           > E0 55 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AFBC3FDDC0, 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 0x000002AFBC4047E0, 16 bytes long.
 Data: <(h>&#188;&#175;           > 28 68 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AFBC3FD300, 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 0x000002AFBC404B00, 16 bytes long.
 Data: < h>&#188;&#175;           > 00 68 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AFBC404510, 16 bytes long.
 Data: <&#216;g>&#188;&#175;           > D8 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AFBC404420, 16 bytes long.
 Data: <&#176;g>&#188;&#175;           > B0 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AFBC4046F0, 16 bytes long.
 Data: < g>&#188;&#175;           > 88 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AFBC404A60, 16 bytes long.
 Data: <`g>&#188;&#175;           > 60 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AFBC4043D0, 16 bytes long.
 Data: <8g>&#188;&#175;           > 38 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AFBC3FCC40, 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 0x000002AFBC404E70, 16 bytes long.
 Data: < g>&#188;&#175;           > 10 67 3E BC AF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AFBC3E6710, 320 bytes long.
 Data: <pN@&#188;&#175;   @&#204;?&#188;&#175;   > 70 4E 40 BC AF 02 00 00 40 CC 3F BC AF 02 00 00 
{275} normal block at 0x000002AFBC404240, 16 bytes long.
 Data: <&#192;U@&#188;&#175;           > C0 55 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AFBC404380, 16 bytes long.
 Data: < U@&#188;&#175;           > 98 55 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AFBC3FCBE0, 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 0x000002AFBC404100, 16 bytes long.
 Data: <pU@&#188;&#175;           > 70 55 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AFBC3FD0C0, 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 0x000002AFBC404150, 16 bytes long.
 Data: <&#184;T@&#188;&#175;           > B8 54 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AFBC404BF0, 16 bytes long.
 Data: < T@&#188;&#175;           > 90 54 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AFBC404010, 16 bytes long.
 Data: <hT@&#188;&#175;           > 68 54 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AFBC404790, 16 bytes long.
 Data: <@T@&#188;&#175;           > 40 54 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AFBC404560, 16 bytes long.
 Data: < T@&#188;&#175;           > 18 54 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AFBC403FC0, 16 bytes long.
 Data: <&#240;S@&#188;&#175;           > F0 53 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AFBC404600, 16 bytes long.
 Data: <P&#221;?&#188;&#175;           > 50 DD 3F BC AF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AFBC3FDD50, 40 bytes long.
 Data: < F@&#188;&#175;   0| &#190;&#175;   > 00 46 40 BC AF 02 00 00 30 7C 01 BE AF 02 00 00 
{261} normal block at 0x000002AFBC404330, 16 bytes long.
 Data: <&#208;S@&#188;&#175;           > D0 53 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AFBC4042E0, 16 bytes long.
 Data: <&#168;S@&#188;&#175;           > A8 53 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AFBC3FCEE0, 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 0x000002AFBC4040B0, 16 bytes long.
 Data: < S@&#188;&#175;           > 80 53 40 BC AF 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002AFBC405380, 992 bytes long.
 Data: <&#176;@@&#188;&#175;   &#224;&#206;?&#188;&#175;   > B0 40 40 BC AF 02 00 00 E0 CE 3F BC AF 02 00 00 
{93} normal block at 0x000002AFBC3FD7E0, 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 0x000002AFBC3F82A0, 16 bytes long.
 Data: <&#208;&#224;?&#188;&#175;           > D0 E0 3F BC AF 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002AFBC3FE0D0, 40 bytes long.
 Data: <&#160;&#130;?&#188;&#175;   &#224;&#215;?&#188;&#175;   > A0 82 3F BC AF 02 00 00 E0 D7 3F BC AF 02 00 00 
{70} normal block at 0x000002AFBC3F8D40, 16 bytes long.
 Data: < &#234;?&#231;&#247;           > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AFBC3F8CF0, 16 bytes long.
 Data: <@&#233;?&#231;&#247;           > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AFBC3F8840, 16 bytes long.
 Data: <&#248;W<&#231;&#247;           > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AFBC3F8C50, 16 bytes long.
 Data: <&#216;W<&#231;&#247;           > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AFBC3F8340, 16 bytes long.
 Data: <P <&#231;&#247;           > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AFBC3F8B10, 16 bytes long.
 Data: <0 <&#231;&#247;           > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AFBC3F87A0, 16 bytes long.
 Data: <&#224; <&#231;&#247;           > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AFBC3F8610, 16 bytes long.
 Data: <  <&#231;&#247;           > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AFBC3F87F0, 16 bytes long.
 Data: <p <&#231;&#247;           > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002AFBC3F80C0, 16 bytes long.
 Data: < &#192;:&#231;&#247;           > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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