Task 38696628

Name test_963-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9645_0
Workunit 31637249
Created 1 Nov 2026, 2:35:56 UTC
Sent 1 Nov 2026, 2:35:59 UTC
Report deadline 6 Nov 2026, 2:35:59 UTC
Received 1 Nov 2026, 5:35:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 42 min 47 sec
CPU time 41 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.46 MB
Peak swap size 12.97 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
05:27:57 (9948): wrapper (7.9.26016): starting
05:27:57 (9948): 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
05:28:00 (9948): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:28:00 (9948): 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:\boinc\slots\5\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:\boinc\slots\5\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
06:09:22 (9948): C:/Windows/system32/cmd.exe exited; CPU time 2468.812500
06:09:22 (9948): 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: 39596995 bytes.
Dumping objects ->
{3835315} normal block at 0x00000236F15148E0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x00000236F32311D0, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x00000236F32312F0, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x00000236F3230F30, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x00000236F3230E70, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x00000236F15146B0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x00000236F31FE640, 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) : {3835226} normal block at 0x00000236F150E530, 8 bytes long.
 Data: <  J&#241;6   > 00 00 4A F1 36 02 00 00 
{3834587} normal block at 0x00000236F31FE850, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000236F150EF80, 8 bytes long.
 Data: < 6$&#243;6   > 80 36 24 F3 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000236F1510690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000236F1506230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000236F1515D70, 16 bytes long.
 Data: <&#168;TQ&#241;6           > A8 54 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000236F1515E60, 16 bytes long.
 Data: < TQ&#241;6           > 80 54 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000236F150F9A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000236F1515D20, 16 bytes long.
 Data: <XTQ&#241;6           > 58 54 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000236F1515A00, 16 bytes long.
 Data: <0TQ&#241;6           > 30 54 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000236F15162C0, 16 bytes long.
 Data: < TQ&#241;6           > 08 54 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000236F1515EB0, 16 bytes long.
 Data: <&#224;SQ&#241;6           > E0 53 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000236F1514950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000236F1515E10, 16 bytes long.
 Data: <x&#142;P&#241;6           > 78 8E 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000236F150F4C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000236F15159B0, 16 bytes long.
 Data: <P&#142;P&#241;6           > 50 8E 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000236F1515CD0, 16 bytes long.
 Data: <(&#142;P&#241;6           > 28 8E 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000236F1515DC0, 16 bytes long.
 Data: < &#142;P&#241;6           > 00 8E 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000236F1515960, 16 bytes long.
 Data: <&#216; P&#241;6           > D8 8D 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236F1515AF0, 16 bytes long.
 Data: <&#176; P&#241;6           > B0 8D 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000236F1516540, 16 bytes long.
 Data: <  P&#241;6           > 88 8D 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236F150F880, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000236F1516090, 16 bytes long.
 Data: <` P&#241;6           > 60 8D 50 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000236F1508D60, 320 bytes long.
 Data: < `Q&#241;6    &#248;P&#241;6   > 90 60 51 F1 36 02 00 00 80 F8 50 F1 36 02 00 00 
{273} normal block at 0x00000236F1515F00, 16 bytes long.
 Data: <&#192;SQ&#241;6           > C0 53 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000236F1515870, 16 bytes long.
 Data: < SQ&#241;6           > 98 53 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236F150F760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000236F1515820, 16 bytes long.
 Data: <pSQ&#241;6           > 70 53 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000236F150F8E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000236F1515910, 16 bytes long.
 Data: <&#184;RQ&#241;6           > B8 52 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000236F1515C30, 16 bytes long.
 Data: < RQ&#241;6           > 90 52 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000236F1516360, 16 bytes long.
 Data: <hRQ&#241;6           > 68 52 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000236F15164F0, 16 bytes long.
 Data: <@RQ&#241;6           > 40 52 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000236F1516310, 16 bytes long.
 Data: < RQ&#241;6           > 18 52 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000236F150F0C0, 16 bytes long.
 Data: <&#240;QQ&#241;6           > F0 51 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000236F150ECB0, 16 bytes long.
 Data: <&#192;IQ&#241;6           > C0 49 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000236F15149C0, 40 bytes long.
 Data: <&#176;&#236;P&#241;6   &#176;FQ&#241;6   > B0 EC 50 F1 36 02 00 00 B0 46 51 F1 36 02 00 00 
{259} normal block at 0x00000236F150EC60, 16 bytes long.
 Data: <&#208;QQ&#241;6           > D0 51 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000236F150EA30, 16 bytes long.
 Data: <&#168;QQ&#241;6           > A8 51 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000236F1510000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000236F150E9E0, 16 bytes long.
 Data: < QQ&#241;6           > 80 51 51 F1 36 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000236F1515180, 992 bytes long.
 Data: <&#224;&#233;P&#241;6     Q&#241;6   > E0 E9 50 F1 36 02 00 00 00 00 51 F1 36 02 00 00 
{91} normal block at 0x00000236F15102A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000236F150F1B0, 16 bytes long.
 Data: <&#176;&#237;O&#241;6           > B0 ED 4F F1 36 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000236F14FEDB0, 40 bytes long.
 Data: <&#176;&#241;P&#241;6   &#160; Q&#241;6   > B0 F1 50 F1 36 02 00 00 A0 02 51 F1 36 02 00 00 
{68} normal block at 0x00000236F150EA80, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000236F150E7B0, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236F150F250, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000236F150EB70, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000236F150E710, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000236F150EF30, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000236F150F340, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000236F150E4E0, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000236F150E760, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000236F150E490, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra