Task 38675739

Name test_152-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2262_1
Workunit 31617657
Created 26 Oct 2026, 9:10:24 UTC
Sent 26 Oct 2026, 9:10:27 UTC
Report deadline 31 Oct 2026, 9:10:27 UTC
Received 26 Oct 2026, 10:38:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 1 hours 28 min 20 sec
CPU time 2 hours 24 min 5 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 709.10 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>
12:08:47 (6380): wrapper (7.9.26016): starting
12:08:47 (6380): 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
12:08:48 (6380): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:08:48 (6380): 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
12:36:39 (6380): C:/Windows/system32/cmd.exe exited; CPU time 8645.359375
12:36:39 (6380): 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: 24020641 bytes.
Dumping objects ->
{3835233} normal block at 0x0000021E21361A40, 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 0x0000021E21361570, 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 0x0000021E21361420, 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 0x0000021E21361CE0, 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 0x0000021E213619D0, 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 0x0000021E2140BC40, 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 0x0000021E1F9BE530, 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 0x0000021E1F8D6A00, 8 bytes long.
 Data: <  #!    > 00 00 23 21 1E 02 00 00 
{3834543} normal block at 0x0000021E1F9BDB90, 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 0x0000021E1F8D7040, 8 bytes long.
 Data: <&#160;&#234;6!    > A0 EA 36 21 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000021E1F8E1430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E1F8CCF20, 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 0x0000021E1F8E2380, 16 bytes long.
 Data: <&#216;:              > D8 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E1F8E3050, 16 bytes long.
 Data: <&#176;:              > B0 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E1F8DDCB0, 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 0x0000021E1F8E2C40, 16 bytes long.
 Data: < :              > 88 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E1F8E3140, 16 bytes long.
 Data: <`:              > 60 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E1F8E2A10, 16 bytes long.
 Data: <8:              > 38 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E1F8E2650, 16 bytes long.
 Data: < :              > 10 3A 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E1F8DE120, 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 0x0000021E1F8E2B00, 16 bytes long.
 Data: <&#184;&#206;              > B8 CE 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E1F8DDC50, 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 0x0000021E1F8E2600, 16 bytes long.
 Data: < &#206;              > 90 CE 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E1F8E29C0, 16 bytes long.
 Data: <h&#206;              > 68 CE 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E1F8E28D0, 16 bytes long.
 Data: <@&#206;              > 40 CE 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E1F8E2DD0, 16 bytes long.
 Data: < &#206;              > 18 CE 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E1F8E2970, 16 bytes long.
 Data: <&#240;&#205;              > F0 CD 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E1F8E25B0, 16 bytes long.
 Data: <&#200;&#205;              > C8 CD 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E1F8DD2F0, 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 0x0000021E1F8E2560, 16 bytes long.
 Data: <&#160;&#205;              > A0 CD 8C 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E1F8CCDA0, 320 bytes long.
 Data: <`%      &#240;       > 60 25 8E 1F 1E 02 00 00 F0 D2 8D 1F 1E 02 00 00 
{266} normal block at 0x0000021E1F8E30F0, 16 bytes long.
 Data: <&#240;9              > F0 39 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E1F8E24C0, 16 bytes long.
 Data: <&#200;9              > C8 39 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E1F8DD950, 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 0x0000021E1F8E2470, 16 bytes long.
 Data: <&#160;9              > A0 39 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E1F8DDB30, 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 0x0000021E1F8E2CE0, 16 bytes long.
 Data: <&#232;8              > E8 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E1F8E2920, 16 bytes long.
 Data: <&#192;8              > C0 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E1F8E2A60, 16 bytes long.
 Data: < 8              > 98 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021E1F8E2BF0, 16 bytes long.
 Data: <p8              > 70 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021E1F8E2AB0, 16 bytes long.
 Data: <H8              > 48 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021E1F8E2E20, 16 bytes long.
 Data: < 8              > 20 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021E1F8E2510, 16 bytes long.
 Data: <0&#228;              > 30 E4 8D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021E1F8DE430, 40 bytes long.
 Data: < %      @&#188;@!    > 10 25 8E 1F 1E 02 00 00 40 BC 40 21 1E 02 00 00 
{252} normal block at 0x0000021E1F8E2D30, 16 bytes long.
 Data: < 8              > 00 38 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021E1F8E3000, 16 bytes long.
 Data: <&#216;7              > D8 37 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021E1F8DD830, 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 0x0000021E1F8E2240, 16 bytes long.
 Data: <&#176;7              > B0 37 8E 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000021E1F8E37B0, 992 bytes long.
 Data: <@"      0&#216;      > 40 22 8E 1F 1E 02 00 00 30 D8 8D 1F 1E 02 00 00 
{84} normal block at 0x0000021E1F8DD770, 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 0x0000021E1F8D6BE0, 16 bytes long.
 Data: <p&#226;              > 70 E2 8D 1F 1E 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000021E1F8DE270, 40 bytes long.
 Data: <&#224;k      p&#215;      > E0 6B 8D 1F 1E 02 00 00 70 D7 8D 1F 1E 02 00 00 
{61} normal block at 0x0000021E1F8D6FA0, 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 0x0000021E1F8D6E60, 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 0x0000021E1F8D7450, 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 0x0000021E1F8D7400, 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 0x0000021E1F8D7360, 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 0x0000021E1F8D6AA0, 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 0x0000021E1F8D70E0, 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 0x0000021E1F8D6FF0, 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 0x0000021E1F8D7630, 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 0x0000021E1F8D6910, 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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