Task 38676730

Name test_456-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7311_0
Workunit 31618630
Created 26 Oct 2026, 12:09:43 UTC
Sent 26 Oct 2026, 12:09:49 UTC
Report deadline 31 Oct 2026, 12:09:49 UTC
Received 26 Oct 2026, 13:40:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 30 min 27 sec
CPU time 28 min 13 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 707.11 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>
15:08:15 (4888): wrapper (7.9.26016): starting
15:08:15 (4888): 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
15:08:16 (4888): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:08:16 (4888): 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
15:38:01 (4888): C:/Windows/system32/cmd.exe exited; CPU time 1693.015625
15:38:01 (4888): 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: 23801333 bytes.
Dumping objects ->
{3835233} normal block at 0x00000221347E0EE0, 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 0x00000221347E1C00, 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 0x00000221347E18F0, 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 0x00000221347E15E0, 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 0x00000221347E11F0, 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 0x000002213488C240, 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 0x0000022134932BE0, 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 0x0000022132BF6820, 8 bytes long.
 Data: <  &#189;2!   > 00 00 BD 32 21 02 00 00 
{3834543} normal block at 0x0000022134932320, 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 0x0000022132BF73B0, 8 bytes long.
 Data: <&#224;W&#151;4!   > E0 57 97 34 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000022132C01430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022132BECF20, 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 0x0000022132C02A60, 16 bytes long.
 Data: <(9&#192;2!           > 28 39 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022132C02970, 16 bytes long.
 Data: < 9&#192;2!           > 00 39 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022132BFD890, 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 0x0000022132C03190, 16 bytes long.
 Data: <&#216;8&#192;2!           > D8 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022132C027E0, 16 bytes long.
 Data: <&#176;8&#192;2!           > B0 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022132C02380, 16 bytes long.
 Data: < 8&#192;2!           > 88 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022132C02330, 16 bytes long.
 Data: <`8&#192;2!           > 60 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022132BFDEF0, 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 0x0000022132C02920, 16 bytes long.
 Data: <&#184;&#206;&#190;2!           > B8 CE BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022132BFCED0, 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 0x0000022132C02740, 16 bytes long.
 Data: < &#206;&#190;2!           > 90 CE BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022132C02CE0, 16 bytes long.
 Data: <h&#206;&#190;2!           > 68 CE BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022132C02560, 16 bytes long.
 Data: <@&#206;&#190;2!           > 40 CE BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022132C028D0, 16 bytes long.
 Data: < &#206;&#190;2!           > 18 CE BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022132C02290, 16 bytes long.
 Data: <&#240;&#205;&#190;2!           > F0 CD BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022132C026F0, 16 bytes long.
 Data: <&#200;&#205;&#190;2!           > C8 CD BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022132BFD7D0, 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 0x0000022132C02E20, 16 bytes long.
 Data: <&#160;&#205;&#190;2!           > A0 CD BE 32 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022132BECDA0, 320 bytes long.
 Data: < .&#192;2!   &#208;&#215;&#191;2!   > 20 2E C0 32 21 02 00 00 D0 D7 BF 32 21 02 00 00 
{266} normal block at 0x0000022132C02510, 16 bytes long.
 Data: <@8&#192;2!           > 40 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022132C024C0, 16 bytes long.
 Data: < 8&#192;2!           > 18 38 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022132BFD770, 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 0x0000022132C026A0, 16 bytes long.
 Data: <&#240;7&#192;2!           > F0 37 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022132BFDD70, 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 0x0000022132C02F60, 16 bytes long.
 Data: <87&#192;2!           > 38 37 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022132C030F0, 16 bytes long.
 Data: < 7&#192;2!           > 10 37 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022132C02DD0, 16 bytes long.
 Data: <&#232;6&#192;2!           > E8 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022132C02470, 16 bytes long.
 Data: <&#192;6&#192;2!           > C0 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022132C02D30, 16 bytes long.
 Data: < 6&#192;2!           > 98 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022132C022E0, 16 bytes long.
 Data: <p6&#192;2!           > 70 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022132C023D0, 16 bytes long.
 Data: <&#224;&#226;&#191;2!           > E0 E2 BF 32 21 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022132BFE2E0, 40 bytes long.
 Data: <&#208;#&#192;2!   @&#194; 4!   > D0 23 C0 32 21 02 00 00 40 C2 88 34 21 02 00 00 
{252} normal block at 0x0000022132C02880, 16 bytes long.
 Data: <P6&#192;2!           > 50 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022132C02830, 16 bytes long.
 Data: <(6&#192;2!           > 28 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022132BFDB90, 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 0x0000022132C02650, 16 bytes long.
 Data: < 6&#192;2!           > 00 36 C0 32 21 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000022132C03600, 992 bytes long.
 Data: <P&&#192;2!    &#219;&#191;2!   > 50 26 C0 32 21 02 00 00 90 DB BF 32 21 02 00 00 
{84} normal block at 0x0000022132BFD9B0, 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 0x0000022132BF6EB0, 16 bytes long.
 Data: < &#222;&#191;2!           > 80 DE BF 32 21 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000022132BFDE80, 40 bytes long.
 Data: <&#176;n&#191;2!   &#176;&#217;&#191;2!   > B0 6E BF 32 21 02 00 00 B0 D9 BF 32 21 02 00 00 
{61} normal block at 0x0000022132BF7360, 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 0x0000022132BF6E10, 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 0x0000022132BF76D0, 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 0x0000022132BF74F0, 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 0x0000022132BF6D70, 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 0x0000022132BF6D20, 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 0x0000022132BF7270, 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 0x0000022132BF6CD0, 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 0x0000022132BF6FF0, 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 0x0000022132BF6FA0, 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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