Task 38699813

Name test_790-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6792_0
Workunit 31640176
Created 5 Nov 2026, 15:10:09 UTC
Sent 5 Nov 2026, 15:10:16 UTC
Report deadline 10 Nov 2026, 15:10:16 UTC
Received 5 Nov 2026, 16:34:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630710
Run time 1 hours 8 min 38 sec
CPU time 1 hours 2 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.41 MB
Peak swap size 6.84 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:26:17 (5340): wrapper (7.9.26016): starting
07:26:17 (5340): 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
07:26:18 (5340): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:26:18 (5340): 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 'F:\BOINC\slots\1\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 'F:\BOINC\slots\1\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
08:32:10 (5340): C:/Windows/system32/cmd.exe exited; CPU time 3758.281250
08:32:10 (5340): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 52467885 bytes.
Dumping objects ->
{3835577} normal block at 0x0000025E15344E50, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835566} normal block at 0x0000025E17061650, 32 bytes long.
 Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835555} normal block at 0x0000025E17062190, 32 bytes long.
 Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835544} normal block at 0x0000025E17061FB0, 32 bytes long.
 Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835533} normal block at 0x0000025E17061D10, 32 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835502} normal block at 0x0000025E153451D0, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835491} normal block at 0x0000025E16FC4730, 235 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) : {3835488} normal block at 0x0000025E1533F930, 8 bytes long.
 Data: <  { ^   > 00 00 7B 15 5E 02 00 00 
{3834712} normal block at 0x0000025E16FC50B0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000025E1533F340, 8 bytes long.
 Data: <&#160;&#217;2 ^   > A0 D9 32 15 5E 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025E15340FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025E15336380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000025E15346250, 16 bytes long.
 Data: < k4 ^           > 88 6B 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025E15345C60, 16 bytes long.
 Data: <`k4 ^           > 60 6B 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025E153404E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000025E15345D00, 16 bytes long.
 Data: <8k4 ^           > 38 6B 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025E15345F30, 16 bytes long.
 Data: < k4 ^           > 10 6B 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025E15346020, 16 bytes long.
 Data: <&#232;j4 ^           > E8 6A 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025E153467A0, 16 bytes long.
 Data: <&#192;j4 ^           > C0 6A 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025E15345320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000025E15345C10, 16 bytes long.
 Data: <&#184;&#147;3 ^           > B8 93 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025E15340300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000025E153460C0, 16 bytes long.
 Data: < &#147;3 ^           > 90 93 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025E15346160, 16 bytes long.
 Data: <h&#147;3 ^           > 68 93 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025E15345BC0, 16 bytes long.
 Data: <@&#147;3 ^           > 40 93 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025E153459E0, 16 bytes long.
 Data: < &#147;3 ^           > 18 93 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025E153465C0, 16 bytes long.
 Data: <&#240;&#146;3 ^           > F0 92 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025E15345E90, 16 bytes long.
 Data: <&#200;&#146;3 ^           > C8 92 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025E15340720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000025E15346200, 16 bytes long.
 Data: <&#160;&#146;3 ^           > A0 92 33 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025E153392A0, 320 bytes long.
 Data: < b4 ^     4 ^   > 00 62 34 15 5E 02 00 00 20 07 34 15 5E 02 00 00 
{278} normal block at 0x0000025E15346430, 16 bytes long.
 Data: <&#160;j4 ^           > A0 6A 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025E153462F0, 16 bytes long.
 Data: <xj4 ^           > 78 6A 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025E153406C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000025E153461B0, 16 bytes long.
 Data: <Pj4 ^           > 50 6A 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025E15340A80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000025E15346390, 16 bytes long.
 Data: < i4 ^           > 98 69 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025E15346700, 16 bytes long.
 Data: <pi4 ^           > 70 69 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025E153467F0, 16 bytes long.
 Data: <Hi4 ^           > 48 69 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025E15345F80, 16 bytes long.
 Data: < i4 ^           > 20 69 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025E15346610, 16 bytes long.
 Data: <&#248;h4 ^           > F8 68 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025E15346070, 16 bytes long.
 Data: <&#208;h4 ^           > D0 68 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025E153466B0, 16 bytes long.
 Data: <0O4 ^           > 30 4F 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025E15344F30, 40 bytes long.
 Data: <&#176;f4 ^   &#208;Q4 ^   > B0 66 34 15 5E 02 00 00 D0 51 34 15 5E 02 00 00 
{264} normal block at 0x0000025E15345B20, 16 bytes long.
 Data: <&#176;h4 ^           > B0 68 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025E15346750, 16 bytes long.
 Data: < h4 ^           > 88 68 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025E153400C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000025E15345990, 16 bytes long.
 Data: <`h4 ^           > 60 68 34 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025E15346860, 992 bytes long.
 Data: < Y4 ^   &#192; 4 ^   > 90 59 34 15 5E 02 00 00 C0 00 34 15 5E 02 00 00 
{96} normal block at 0x0000025E153403C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000025E1533F4D0, 16 bytes long.
 Data: <&#160;&#200;2 ^           > A0 C8 32 15 5E 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000025E1532C8A0, 40 bytes long.
 Data: <&#208;&#244;3 ^   &#192; 4 ^   > D0 F4 33 15 5E 02 00 00 C0 03 34 15 5E 02 00 00 
{73} normal block at 0x0000025E1533F7F0, 16 bytes long.
 Data: < &#234; &#241;&#246;           > 80 EA 8D F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025E1533F660, 16 bytes long.
 Data: <@&#233; &#241;&#246;           > 40 E9 8D F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025E1533FB10, 16 bytes long.
 Data: <&#248;W&#138;&#241;&#246;           > F8 57 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025E1533FAC0, 16 bytes long.
 Data: <&#216;W&#138;&#241;&#246;           > D8 57 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025E1533F430, 16 bytes long.
 Data: <P &#138;&#241;&#246;           > 50 04 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025E1533F390, 16 bytes long.
 Data: <0 &#138;&#241;&#246;           > 30 04 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025E1533FA70, 16 bytes long.
 Data: <&#224; &#138;&#241;&#246;           > E0 02 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025E1533F070, 16 bytes long.
 Data: <  &#138;&#241;&#246;           > 10 04 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025E1533F9D0, 16 bytes long.
 Data: <p &#138;&#241;&#246;           > 70 04 8A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025E1533FA20, 16 bytes long.
 Data: < &#192; &#241;&#246;           > 18 C0 88 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra