Task 38653410

Name test_979-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND7790_0
Workunit 31597373
Created 24 Oct 2026, 5:33:30 UTC
Sent 24 Oct 2026, 5:42:27 UTC
Report deadline 29 Oct 2026, 5:42:27 UTC
Received 24 Oct 2026, 6:44:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 23 min 50 sec
CPU time 23 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.63 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:23:29 (8560): wrapper (7.9.26016): starting
02:23:29 (8560): 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
02:23:30 (8560): Library/usr/bin/tar.exe exited; CPU time 229.250000
02:23:30 (8560): 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 'C:\ProgramData\BOINC\slots\16\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 'C:\ProgramData\BOINC\slots\16\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
02:43:48 (8560): C:/Windows/system32/cmd.exe exited; CPU time 1201.078125
02:43:48 (8560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 29587747 bytes.
Dumping objects ->
{3835439} normal block at 0x0000012E21BCD730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x0000012E1FEE55F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000012E1FEE5820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835406} normal block at 0x0000012E1FEE5510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x0000012E1FEE5430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835364} normal block at 0x0000012E21C1BEC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835351} normal block at 0x0000012E1FEE0AC0, 8 bytes long.
 Data: <  + .   > 00 00 2B 20 2E 01 00 00 
{3833967} normal block at 0x0000012E1FEE0B60, 8 bytes long.
 Data: <0L&#199;!.   > 30 4C C7 21 2E 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000012E1FEE1F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000012E1FED7270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000012E1FEE6190, 16 bytes long.
 Data: <Hr&#238; .           > 48 72 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012E1FEE6500, 16 bytes long.
 Data: < r&#238; .           > 20 72 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012E1FEDE550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000012E1FEE66E0, 16 bytes long.
 Data: <&#248;q&#238; .           > F8 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012E1FEE5FB0, 16 bytes long.
 Data: <&#208;q&#238; .           > D0 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012E1FEE6410, 16 bytes long.
 Data: <&#168;q&#238; .           > A8 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012E1FEE6C80, 16 bytes long.
 Data: < q&#238; .           > 80 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012E1FEE5740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000012E1FEE60F0, 16 bytes long.
 Data: <(&#247;&#237; .           > 28 F7 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012E1FEDE250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000012E1FEE63C0, 16 bytes long.
 Data: < &#247;&#237; .           > 00 F7 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012E1FEE60A0, 16 bytes long.
 Data: <&#216;&#246;&#237; .           > D8 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012E1FEE6EB0, 16 bytes long.
 Data: <&#176;&#246;&#237; .           > B0 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012E1FEE6000, 16 bytes long.
 Data: < &#246;&#237; .           > 88 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012E1FEE6280, 16 bytes long.
 Data: <`&#246;&#237; .           > 60 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012E1FEE6AA0, 16 bytes long.
 Data: <8&#246;&#237; .           > 38 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012E1FEDE010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000012E1FEE6910, 16 bytes long.
 Data: < &#246;&#237; .           > 10 F6 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012E1FEDF610, 320 bytes long.
 Data: < i&#238; .    &#224;&#237; .   > 10 69 EE 1F 2E 01 00 00 10 E0 ED 1F 2E 01 00 00 
{279} normal block at 0x0000012E1FEE65A0, 16 bytes long.
 Data: <`q&#238; .           > 60 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012E1FEE6C30, 16 bytes long.
 Data: <8q&#238; .           > 38 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012E1FEDE730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000012E1FEE5F60, 16 bytes long.
 Data: < q&#238; .           > 10 71 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012E1FEDDFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000012E1FEE6E60, 16 bytes long.
 Data: <Xp&#238; .           > 58 70 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012E1FEE6050, 16 bytes long.
 Data: <0p&#238; .           > 30 70 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012E1FEE68C0, 16 bytes long.
 Data: < p&#238; .           > 08 70 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012E1FEE6E10, 16 bytes long.
 Data: <&#224;o&#238; .           > E0 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012E1FEE64B0, 16 bytes long.
 Data: <&#184;o&#238; .           > B8 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012E1FEE6DC0, 16 bytes long.
 Data: < o&#238; .           > 90 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012E1FEE6870, 16 bytes long.
 Data: <&#224;Y&#238; .           > E0 59 EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012E1FEE59E0, 40 bytes long.
 Data: <ph&#238; .   &#192;&#190;&#193;!.   > 70 68 EE 1F 2E 01 00 00 C0 BE C1 21 2E 01 00 00 
{265} normal block at 0x0000012E1FEE65F0, 16 bytes long.
 Data: <po&#238; .           > 70 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012E1FEE67D0, 16 bytes long.
 Data: <Ho&#238; .           > 48 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012E1FEDE5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000012E1FEE6370, 16 bytes long.
 Data: < o&#238; .           > 20 6F EE 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012E1FEE6F20, 992 bytes long.
 Data: <pc&#238; .   &#176;&#229;&#237; .   > 70 63 EE 1F 2E 01 00 00 B0 E5 ED 1F 2E 01 00 00 
{97} normal block at 0x0000012E1FEDDB30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000012E1FEE0070, 16 bytes long.
 Data: <&#160;P&#237; .           > A0 50 ED 1F 2E 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000012E1FED50A0, 40 bytes long.
 Data: <p &#238; .   0&#219;&#237; .   > 70 00 EE 1F 2E 01 00 00 30 DB ED 1F 2E 01 00 00 
{74} normal block at 0x0000012E1FEE03E0, 16 bytes long.
 Data: < &#234;)C&#247;           > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012E1FEE0160, 16 bytes long.
 Data: <@&#233;)C&#247;           > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012E1FEE07F0, 16 bytes long.
 Data: <&#248;W&C&#247;           > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012E1FEE0930, 16 bytes long.
 Data: <&#216;W&C&#247;           > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012E1FEDFE40, 16 bytes long.
 Data: <P &C&#247;           > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012E1FEE0660, 16 bytes long.
 Data: <0 &C&#247;           > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012E1FEE0340, 16 bytes long.
 Data: <&#224; &C&#247;           > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012E1FEE0700, 16 bytes long.
 Data: <  &C&#247;           > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012E1FEE0390, 16 bytes long.
 Data: <p &C&#247;           > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012E1FEE01B0, 16 bytes long.
 Data: < &#192;$C&#247;           > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra