Task 38671457

Name test_76-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8488_0
Workunit 31613662
Created 25 Oct 2026, 20:33:49 UTC
Sent 25 Oct 2026, 20:34:04 UTC
Report deadline 30 Oct 2026, 20:34:04 UTC
Received 25 Oct 2026, 21:18:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 26 sec
CPU time 13 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.02 MB
Peak swap size 13.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:04:35 (1268): wrapper (7.9.26016): starting
22:04:35 (1268): 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
22:04:36 (1268): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:04:36 (1268): 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:\DataBOINC\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 'C:\DataBOINC\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
22:18:27 (1268): C:/Windows/system32/cmd.exe exited; CPU time 793.984375
22:18:27 (1268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 12636885 bytes.
Dumping objects ->
{3835610} normal block at 0x000001EE410C5100, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x000001EE42D77380, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x000001EE42D771A0, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x000001EE42D772C0, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x000001EE42D76FC0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x000001EE410C53A0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x000001EE42D3EB80, 102 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) : {3835521} normal block at 0x000001EE410BE550, 8 bytes long.
 Data: <  UA&#238;   > 00 00 55 41 EE 01 00 00 
{3834715} normal block at 0x000001EE42D3EC30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001EE410BDD30, 8 bytes long.
 Data: < &#229;&#195;B&#238;   > 00 E5 C3 42 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EE410C2330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EE410B6A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001EE410C5D70, 16 bytes long.
 Data: < o A&#238;           > 18 6F 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EE410C6770, 16 bytes long.
 Data: <&#240;n A&#238;           > F0 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE410C0000, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001EE410C62C0, 16 bytes long.
 Data: <&#200;n A&#238;           > C8 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE410C6AE0, 16 bytes long.
 Data: <&#160;n A&#238;           > A0 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE410C64F0, 16 bytes long.
 Data: <xn A&#238;           > 78 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE410C6A90, 16 bytes long.
 Data: <Pn A&#238;           > 50 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE410C54F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001EE410C61D0, 16 bytes long.
 Data: <&#168;&#148; A&#238;           > A8 94 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE410C0420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001EE410C6040, 16 bytes long.
 Data: < &#148; A&#238;           > 80 94 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE410C6B80, 16 bytes long.
 Data: <X&#148; A&#238;           > 58 94 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE410C63B0, 16 bytes long.
 Data: <0&#148; A&#238;           > 30 94 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE410C67C0, 16 bytes long.
 Data: < &#148; A&#238;           > 08 94 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE410C60E0, 16 bytes long.
 Data: <&#224;&#147; A&#238;           > E0 93 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE410C6680, 16 bytes long.
 Data: <&#184;&#147; A&#238;           > B8 93 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE410BFD60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001EE410C5D20, 16 bytes long.
 Data: < &#147; A&#238;           > 90 93 0B 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE410B9390, 320 bytes long.
 Data: < ] A&#238;   `&#253; A&#238;   > 20 5D 0C 41 EE 01 00 00 60 FD 0B 41 EE 01 00 00 
{276} normal block at 0x000001EE410C5FF0, 16 bytes long.
 Data: <0n A&#238;           > 30 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE410C5CD0, 16 bytes long.
 Data: < n A&#238;           > 08 6E 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE410BFB80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001EE410C69F0, 16 bytes long.
 Data: <&#224;m A&#238;           > E0 6D 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE410C03C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001EE410C6360, 16 bytes long.
 Data: <(m A&#238;           > 28 6D 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE410C5E10, 16 bytes long.
 Data: < m A&#238;           > 00 6D 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE410C6220, 16 bytes long.
 Data: <&#216;l A&#238;           > D8 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE410C5FA0, 16 bytes long.
 Data: <&#176;l A&#238;           > B0 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE410C5C80, 16 bytes long.
 Data: < l A&#238;           > 88 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE410C66D0, 16 bytes long.
 Data: <`l A&#238;           > 60 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE410C6860, 16 bytes long.
 Data: <pQ A&#238;           > 70 51 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE410C5170, 40 bytes long.
 Data: <`h A&#238;   &#160;S A&#238;   > 60 68 0C 41 EE 01 00 00 A0 53 0C 41 EE 01 00 00 
{262} normal block at 0x000001EE410C5C30, 16 bytes long.
 Data: <@l A&#238;           > 40 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE410C6630, 16 bytes long.
 Data: < l A&#238;           > 18 6C 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE410BF700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001EE410C6270, 16 bytes long.
 Data: <&#240;k A&#238;           > F0 6B 0C 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE410C6BF0, 992 bytes long.
 Data: <pb A&#238;    &#247; A&#238;   > 70 62 0C 41 EE 01 00 00 00 F7 0B 41 EE 01 00 00 
{94} normal block at 0x000001EE410BF940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001EE410BD650, 16 bytes long.
 Data: < &#247; A&#238;           > 00 F7 0A 41 EE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EE410AF700, 40 bytes long.
 Data: <P&#214; A&#238;   @&#249; A&#238;   > 50 D6 0B 41 EE 01 00 00 40 F9 0B 41 EE 01 00 00 
{71} normal block at 0x000001EE410BE050, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EE410BE0A0, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE410BD9C0, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE410BE000, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE410BDD80, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE410BDAB0, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE410BD6A0, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE410BDC40, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE410BDF60, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE410BDDD0, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra