Task 38682912

Name test_847-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5555_0
Workunit 31624503
Created 27 Oct 2026, 9:37:57 UTC
Sent 27 Oct 2026, 9:38:10 UTC
Report deadline 1 Nov 2026, 9:38:10 UTC
Received 27 Oct 2026, 12:06:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 43 sec
CPU time 51 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.87 MB
Peak swap size 14.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:15:07 (12476): wrapper (7.9.26016): starting
12:15:07 (12476): 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
12:15:09 (12476): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:15:09 (12476): 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\72\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\72\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
13:05:48 (12476): C:/Windows/system32/cmd.exe exited; CPU time 3084.812500
13:05:48 (12476): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 54461311 bytes.
Dumping objects ->
{3835218} normal block at 0x00000191C70B7E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000191C70B78A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000191C70B7590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x00000191C70B7520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x00000191C70B7830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x00000191C6FCACF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x00000191C702CF00, 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) : {3835129} normal block at 0x00000191C5237A70, 8 bytes long.
 Data: <  &#215;&#198;&#145;   > 00 00 D7 C6 91 01 00 00 
{3834528} normal block at 0x00000191C702C820, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000191C5237890, 8 bytes long.
 Data: <p&#132; &#199;&#145;   > 70 84 0B C7 91 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000191C5240CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000191C522CA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000191C5242770, 16 bytes long.
 Data: < /$&#197;&#145;           > 88 2F 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000191C5242720, 16 bytes long.
 Data: <`/$&#197;&#145;           > 60 2F 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000191C523D690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000191C52426D0, 16 bytes long.
 Data: <8/$&#197;&#145;           > 38 2F 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000191C52425E0, 16 bytes long.
 Data: < /$&#197;&#145;           > 10 2F 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000191C5241F50, 16 bytes long.
 Data: <&#232;.$&#197;&#145;           > E8 2E 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000191C5242900, 16 bytes long.
 Data: <&#192;.$&#197;&#145;           > C0 2E 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000191C523BDF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000191C5242130, 16 bytes long.
 Data: <&#232;["&#197;&#145;           > E8 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000191C523D390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000191C5242590, 16 bytes long.
 Data: <&#192;["&#197;&#145;           > C0 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000191C5241B90, 16 bytes long.
 Data: < ["&#197;&#145;           > 98 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000191C5241AF0, 16 bytes long.
 Data: <p["&#197;&#145;           > 70 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000191C5242950, 16 bytes long.
 Data: <H["&#197;&#145;           > 48 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000191C5242360, 16 bytes long.
 Data: < ["&#197;&#145;           > 20 5B 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000191C52423B0, 16 bytes long.
 Data: <&#248;Z"&#197;&#145;           > F8 5A 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000191C523D270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000191C5242540, 16 bytes long.
 Data: <&#208;Z"&#197;&#145;           > D0 5A 22 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000191C5225AD0, 320 bytes long.
 Data: <@%$&#197;&#145;   p&#210;#&#197;&#145;   > 40 25 24 C5 91 01 00 00 70 D2 23 C5 91 01 00 00 
{269} normal block at 0x00000191C5241B40, 16 bytes long.
 Data: <&#160;.$&#197;&#145;           > A0 2E 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000191C5241F00, 16 bytes long.
 Data: <x.$&#197;&#145;           > 78 2E 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000191C523D2D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000191C5241EB0, 16 bytes long.
 Data: <P.$&#197;&#145;           > 50 2E 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000191C523D930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000191C5242180, 16 bytes long.
 Data: < -$&#197;&#145;           > 98 2D 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000191C5241D20, 16 bytes long.
 Data: <p-$&#197;&#145;           > 70 2D 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000191C5242310, 16 bytes long.
 Data: <H-$&#197;&#145;           > 48 2D 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000191C5242680, 16 bytes long.
 Data: < -$&#197;&#145;           > 20 2D 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000191C52422C0, 16 bytes long.
 Data: <&#248;,$&#197;&#145;           > F8 2C 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000191C52420E0, 16 bytes long.
 Data: <&#208;,$&#197;&#145;           > D0 2C 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000191C5241E60, 16 bytes long.
 Data: <@&#191;#&#197;&#145;           > 40 BF 23 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000191C523BF40, 40 bytes long.
 Data: <` $&#197;&#145;   &#240;&#172;&#252;&#198;&#145;   > 60 1E 24 C5 91 01 00 00 F0 AC FC C6 91 01 00 00 
{255} normal block at 0x00000191C5242A40, 16 bytes long.
 Data: <&#176;,$&#197;&#145;           > B0 2C 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000191C5241C80, 16 bytes long.
 Data: < ,$&#197;&#145;           > 88 2C 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000191C523DC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000191C52428B0, 16 bytes long.
 Data: <`,$&#197;&#145;           > 60 2C 24 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000191C5242C60, 992 bytes long.
 Data: <&#176;($&#197;&#145;   0&#220;#&#197;&#145;   > B0 28 24 C5 91 01 00 00 30 DC 23 C5 91 01 00 00 
{87} normal block at 0x00000191C523DA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000191C52378E0, 16 bytes long.
 Data: <`&#190;#&#197;&#145;           > 60 BE 23 C5 91 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000191C523BE60, 40 bytes long.
 Data: <&#224;x#&#197;&#145;   P&#218;#&#197;&#145;   > E0 78 23 C5 91 01 00 00 50 DA 23 C5 91 01 00 00 
{64} normal block at 0x00000191C5237200, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000191C5237520, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000191C52375C0, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000191C52374D0, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000191C52377F0, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000191C5237480, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000191C52377A0, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000191C5237750, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000191C52373E0, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000191C52371B0, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra