Task 38675897

Name test_939-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7109_0
Workunit 31617843
Created 26 Oct 2026, 9:39:21 UTC
Sent 26 Oct 2026, 9:39:23 UTC
Report deadline 31 Oct 2026, 9:39:23 UTC
Received 26 Oct 2026, 11:07:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 28 min 37 sec
CPU time 26 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.63 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:37:23 (11008): wrapper (7.9.26016): starting
12:37:23 (11008): 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
12:37:24 (11008): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:37:24 (11008): 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
13:05:18 (11008): C:/Windows/system32/cmd.exe exited; CPU time 1578.953125
13:05:18 (11008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23204435 bytes.
Dumping objects ->
{3835233} normal block at 0x00000292181C0EE0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000292181C12D0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000292181C1650, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000292181C0F50, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000292181C1AB0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000292182B5F10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000292181E0F10, 160 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) : {3835144} normal block at 0x00000292165B8200, 8 bytes long.
 Data: <  T &#146;   > 00 00 54 16 92 02 00 00 
{3834543} normal block at 0x00000292181E0730, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x00000292165B7AD0, 8 bytes long.
 Data: <&#160;.1 &#146;   > A0 2E 31 18 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000292165C2560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000292165AB260, 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 0x00000292165C3AF0, 16 bytes long.
 Data: < L\ &#146;           > 08 4C 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000292165C36E0, 16 bytes long.
 Data: <&#224;K\ &#146;           > E0 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000292165BEB40, 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 0x00000292165C39B0, 16 bytes long.
 Data: <&#184;K\ &#146;           > B8 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000292165C38C0, 16 bytes long.
 Data: < K\ &#146;           > 90 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000292165C42C0, 16 bytes long.
 Data: <hK\ &#146;           > 68 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000292165C3AA0, 16 bytes long.
 Data: <@K\ &#146;           > 40 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000292165BF020, 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 0x00000292165C3D70, 16 bytes long.
 Data: <&#168;&#221;Z &#146;           > A8 DD 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000292165BE660, 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 0x00000292165C3780, 16 bytes long.
 Data: < &#221;Z &#146;           > 80 DD 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000292165C37D0, 16 bytes long.
 Data: <X&#221;Z &#146;           > 58 DD 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000292165C3E60, 16 bytes long.
 Data: <0&#221;Z &#146;           > 30 DD 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000292165C4130, 16 bytes long.
 Data: < &#221;Z &#146;           > 08 DD 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000292165C4270, 16 bytes long.
 Data: <&#224;&#220;Z &#146;           > E0 DC 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000292165C3960, 16 bytes long.
 Data: <&#184;&#220;Z &#146;           > B8 DC 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000292165BE360, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000292165C4220, 16 bytes long.
 Data: < &#220;Z &#146;           > 90 DC 5A 16 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000292165ADC90, 320 bytes long.
 Data: < B\ &#146;   `&#227;[ &#146;   > 20 42 5C 16 92 02 00 00 60 E3 5B 16 92 02 00 00 
{266} normal block at 0x00000292165C3410, 16 bytes long.
 Data: < K\ &#146;           > 20 4B 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000292165C3690, 16 bytes long.
 Data: <&#248;J\ &#146;           > F8 4A 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000292165BEA80, 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 0x00000292165C3370, 16 bytes long.
 Data: <&#208;J\ &#146;           > D0 4A 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000292165BEAE0, 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 0x00000292165C33C0, 16 bytes long.
 Data: < J\ &#146;           > 18 4A 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000292165C3A50, 16 bytes long.
 Data: <&#240;I\ &#146;           > F0 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000292165C3820, 16 bytes long.
 Data: <&#200;I\ &#146;           > C8 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000292165C3870, 16 bytes long.
 Data: <&#160;I\ &#146;           > A0 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000292165C3640, 16 bytes long.
 Data: <xI\ &#146;           > 78 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000292165C4180, 16 bytes long.
 Data: <PI\ &#146;           > 50 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000292165C4090, 16 bytes long.
 Data: <&#240;&#244;[ &#146;           > F0 F4 5B 16 92 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000292165BF4F0, 40 bytes long.
 Data: < @\ &#146;    _+ &#146;   > 90 40 5C 16 92 02 00 00 10 5F 2B 18 92 02 00 00 
{252} normal block at 0x00000292165C41D0, 16 bytes long.
 Data: <0I\ &#146;           > 30 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000292165C3550, 16 bytes long.
 Data: < I\ &#146;           > 08 49 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000292165BE300, 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 0x00000292165C35A0, 16 bytes long.
 Data: <&#224;H\ &#146;           > E0 48 5C 16 92 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000292165C48E0, 992 bytes long.
 Data: <&#160;5\ &#146;    &#227;[ &#146;   > A0 35 5C 16 92 02 00 00 00 E3 5B 16 92 02 00 00 
{84} normal block at 0x00000292165BEDE0, 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 0x00000292165B7DA0, 16 bytes long.
 Data: <&#208;&#245;[ &#146;           > D0 F5 5B 16 92 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000292165BF5D0, 40 bytes long.
 Data: <&#160;}[ &#146;   &#224;&#237;[ &#146;   > A0 7D 5B 16 92 02 00 00 E0 ED 5B 16 92 02 00 00 
{61} normal block at 0x00000292165B7990, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000292165B88E0, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000292165B8480, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000292165B8890, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000292165B85C0, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000292165B82A0, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000292165B7DF0, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000292165B7A80, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000292165B8750, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000292165B8520, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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