Task 38681358

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5245_1
Workunit 31617661
Created 27 Oct 2026, 3:38:36 UTC
Sent 27 Oct 2026, 3:38:49 UTC
Report deadline 1 Nov 2026, 3:38:49 UTC
Received 27 Oct 2026, 4:56:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 25 min 6 sec
CPU time 23 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.82 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>
23:32:02 (47200): wrapper (7.9.26016): starting
23:32:02 (47200): 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
23:32:03 (47200): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:32:03 (47200): 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\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:\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
23:56:20 (47200): C:/Windows/system32/cmd.exe exited; CPU time 1415.656250
23:56:20 (47200): 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: 36934581 bytes.
Dumping objects ->
{3835258} normal block at 0x000001EE3C69CA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001EE3A944990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001EE3A944840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001EE3A944D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001EE3A9447D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001EE3C6E3D20, 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) : {3835170} normal block at 0x000001EE3A93F630, 8 bytes long.
 Data: <  &#145;:&#238;   > 00 00 91 3A EE 01 00 00 
{3833959} normal block at 0x000001EE3A93EB40, 8 bytes long.
 Data: <`&#227;_<&#238;   > 60 E3 5F 3C EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EE3A940FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EE3A936C80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EE3A9466B0, 16 bytes long.
 Data: <&#248;W&#148;:&#238;           > F8 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE3A945DA0, 16 bytes long.
 Data: <&#208;W&#148;:&#238;           > D0 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EE3A940670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EE3A945C10, 16 bytes long.
 Data: <&#168;W&#148;:&#238;           > A8 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE3A946160, 16 bytes long.
 Data: < W&#148;:&#238;           > 80 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE3A946070, 16 bytes long.
 Data: <XW&#148;:&#238;           > 58 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE3A946110, 16 bytes long.
 Data: <0W&#148;:&#238;           > 30 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EE3A944A00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EE3A946840, 16 bytes long.
 Data: <&#232; &#147;:&#238;           > E8 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE3A9405B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EE3A9461B0, 16 bytes long.
 Data: <&#192; &#147;:&#238;           > C0 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE3A946430, 16 bytes long.
 Data: <  &#147;:&#238;           > 98 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE3A945D00, 16 bytes long.
 Data: <p &#147;:&#238;           > 70 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE3A945C60, 16 bytes long.
 Data: <H &#147;:&#238;           > 48 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE3A9462F0, 16 bytes long.
 Data: <  &#147;:&#238;           > 20 90 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE3A945EE0, 16 bytes long.
 Data: <&#248; &#147;:&#238;           > F8 8F 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE3A9404F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EE3A946020, 16 bytes long.
 Data: <&#208; &#147;:&#238;           > D0 8F 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE3A938FD0, 320 bytes long.
 Data: < `&#148;:&#238;   &#240; &#148;:&#238;   > 20 60 94 3A EE 01 00 00 F0 04 94 3A EE 01 00 00 
{275} normal block at 0x000001EE3A946750, 16 bytes long.
 Data: < W&#148;:&#238;           > 10 57 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE3A945FD0, 16 bytes long.
 Data: <&#232;V&#148;:&#238;           > E8 56 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EE3A93FAD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EE3A945DF0, 16 bytes long.
 Data: <&#192;V&#148;:&#238;           > C0 56 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE3A9403D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EE3A945F30, 16 bytes long.
 Data: < V&#148;:&#238;           > 08 56 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE3A945E90, 16 bytes long.
 Data: <&#224;U&#148;:&#238;           > E0 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE3A9467F0, 16 bytes long.
 Data: <&#184;U&#148;:&#238;           > B8 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE3A945CB0, 16 bytes long.
 Data: < U&#148;:&#238;           > 90 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE3A9460C0, 16 bytes long.
 Data: <hU&#148;:&#238;           > 68 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE3A93F680, 16 bytes long.
 Data: <@U&#148;:&#238;           > 40 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE3A93F5E0, 16 bytes long.
 Data: <&#240;M&#148;:&#238;           > F0 4D 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE3A944DF0, 40 bytes long.
 Data: <&#224;&#245;&#147;:&#238;    =n<&#238;   > E0 F5 93 3A EE 01 00 00 20 3D 6E 3C EE 01 00 00 
{261} normal block at 0x000001EE3A93EFA0, 16 bytes long.
 Data: < U&#148;:&#238;           > 20 55 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE3A93EE10, 16 bytes long.
 Data: <&#248;T&#148;:&#238;           > F8 54 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE3A93FB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EE3A93EC80, 16 bytes long.
 Data: <&#208;T&#148;:&#238;           > D0 54 94 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EE3A9454D0, 992 bytes long.
 Data: < &#236;&#147;:&#238;   0&#251;&#147;:&#238;   > 80 EC 93 3A EE 01 00 00 30 FB 93 3A EE 01 00 00 
{93} normal block at 0x000001EE3A940190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EE3A93EFF0, 16 bytes long.
 Data: < &#231;&#147;:&#238;           > 20 E7 93 3A EE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EE3A93E720, 40 bytes long.
 Data: <&#240;&#239;&#147;:&#238;     &#148;:&#238;   > F0 EF 93 3A EE 01 00 00 90 01 94 3A EE 01 00 00 
{70} normal block at 0x000001EE3A93F310, 16 bytes long.
 Data: < &#234;&#161;&#201;&#247;           > 80 EA A1 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE3A93F2C0, 16 bytes long.
 Data: <@&#233;&#161;&#201;&#247;           > 40 E9 A1 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE3A93EEB0, 16 bytes long.
 Data: <&#248;W&#158;&#201;&#247;           > F8 57 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE3A93F130, 16 bytes long.
 Data: <&#216;W&#158;&#201;&#247;           > D8 57 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE3A93F770, 16 bytes long.
 Data: <P &#158;&#201;&#247;           > 50 04 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE3A93ED20, 16 bytes long.
 Data: <0 &#158;&#201;&#247;           > 30 04 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE3A93EAA0, 16 bytes long.
 Data: <&#224; &#158;&#201;&#247;           > E0 02 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE3A93F3B0, 16 bytes long.
 Data: <  &#158;&#201;&#247;           > 10 04 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE3A93ECD0, 16 bytes long.
 Data: <p &#158;&#201;&#247;           > 70 04 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE3A93F270, 16 bytes long.
 Data: < &#192;&#156;&#201;&#247;           > 18 C0 9C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra