Task 38676633

Name test_26-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4723_0
Workunit 31618536
Created 26 Oct 2026, 11:53:43 UTC
Sent 26 Oct 2026, 11:53:50 UTC
Report deadline 31 Oct 2026, 11:53:50 UTC
Received 26 Oct 2026, 12:17:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 21 min 58 sec
CPU time 19 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.58 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:55:25 (22408): wrapper (7.9.26016): starting
18:55:25 (22408): 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
18:55:45 (22408): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:55:45 (22408): 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: Exiting with failure status due to previous errors
19:16:27 (22408): C:/Windows/system32/cmd.exe exited; CPU time 1179.609375
19:16:27 (22408): 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: 20650481 bytes.
Dumping objects ->
{3835184} normal block at 0x0000020C5ACAC770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000020C5ACABD60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000020C5ACABCF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835151} normal block at 0x0000020C5ACAC9A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000020C590C4C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835109} normal block at 0x0000020C5ACF9C30, 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) : {3835096} normal block at 0x0000020C590C01B0, 8 bytes long.
 Data: <   Y    > 00 00 08 59 0C 02 00 00 
{3833955} normal block at 0x0000020C590BF7B0, 8 bytes long.
 Data: <&#160;9&#213;Z    > A0 39 D5 5A 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020C590C12B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C590B6B20, 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 0x0000020C590C5E80, 16 bytes long.
 Data: <HW Y            > 48 57 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C590C5C50, 16 bytes long.
 Data: < W Y            > 20 57 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C590BEB10, 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 0x0000020C590C58E0, 16 bytes long.
 Data: <&#248;V Y            > F8 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C590C5DE0, 16 bytes long.
 Data: <&#208;V Y            > D0 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C590C63D0, 16 bytes long.
 Data: <&#168;V Y            > A8 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C590C5A70, 16 bytes long.
 Data: <&#128;V Y            > 80 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C590C4A30, 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 0x0000020C590C64C0, 16 bytes long.
 Data: < &#144; Y            > 18 90 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C590BF590, 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 0x0000020C590C5F20, 16 bytes long.
 Data: <&#240;&#143; Y            > F0 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C590C5890, 16 bytes long.
 Data: <&#200;&#143; Y            > C8 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C590C6380, 16 bytes long.
 Data: <&#160;&#143; Y            > A0 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C590C6790, 16 bytes long.
 Data: <x&#143; Y            > 78 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C590C6100, 16 bytes long.
 Data: <P&#143; Y            > 50 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C590C6740, 16 bytes long.
 Data: <(&#143; Y            > 28 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C590BE930, 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 0x0000020C590C60B0, 16 bytes long.
 Data: < &#143; Y            > 00 8F 0B 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C590B8F00, 320 bytes long.
 Data: <&#176;` Y    0&#233; Y    > B0 60 0C 59 0C 02 00 00 30 E9 0B 59 0C 02 00 00 
{273} normal block at 0x0000020C590C61F0, 16 bytes long.
 Data: <`V Y            > 60 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C590C67E0, 16 bytes long.
 Data: <8V Y            > 38 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C590BEC90, 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 0x0000020C590C66F0, 16 bytes long.
 Data: < V Y            > 10 56 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C590BEED0, 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 0x0000020C590C6330, 16 bytes long.
 Data: <XU Y            > 58 55 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C590C5CA0, 16 bytes long.
 Data: <0U Y            > 30 55 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C590C66A0, 16 bytes long.
 Data: < U Y            > 08 55 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C590C6420, 16 bytes long.
 Data: <&#224;T Y            > E0 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C590C6060, 16 bytes long.
 Data: <&#184;T Y            > B8 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C590BFEE0, 16 bytes long.
 Data: <&#144;T Y            > 90 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C590BFD50, 16 bytes long.
 Data: <pH Y            > 70 48 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C590C4870, 40 bytes long.
 Data: <P&#253; Y    0&#156;&#207;Z    > 50 FD 0B 59 0C 02 00 00 30 9C CF 5A 0C 02 00 00 
{259} normal block at 0x0000020C590BFC10, 16 bytes long.
 Data: <pT Y            > 70 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C590BFB70, 16 bytes long.
 Data: <HT Y            > 48 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C590BF290, 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 0x0000020C590BFAD0, 16 bytes long.
 Data: < T Y            > 20 54 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020C590C5420, 992 bytes long.
 Data: <&#208;&#250; Y    &#144;&#242; Y    > D0 FA 0B 59 0C 02 00 00 90 F2 0B 59 0C 02 00 00 
{91} normal block at 0x0000020C590BF4D0, 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 0x0000020C590BFFD0, 16 bytes long.
 Data: < K Y            > 10 4B 0C 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020C590C4B10, 40 bytes long.
 Data: <&#208;&#255; Y    &#208;&#244; Y    > D0 FF 0B 59 0C 02 00 00 D0 F4 0B 59 0C 02 00 00 
{68} normal block at 0x0000020C590C0070, 16 bytes long.
 Data: <&#128;&#234;&#188;&#221;&#246;           > 80 EA BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C590BFE40, 16 bytes long.
 Data: <@&#233;&#188;&#221;&#246;           > 40 E9 BC DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C590C0480, 16 bytes long.
 Data: <&#248;W &#221;&#246;           > F8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C590BFDA0, 16 bytes long.
 Data: <&#216;W &#221;&#246;           > D8 57 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C590BFF80, 16 bytes long.
 Data: <P  &#221;&#246;           > 50 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C590C0430, 16 bytes long.
 Data: <0  &#221;&#246;           > 30 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C590BF850, 16 bytes long.
 Data: <&#224;  &#221;&#246;           > E0 02 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C590BFBC0, 16 bytes long.
 Data: <   &#221;&#246;           > 10 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C590C0520, 16 bytes long.
 Data: <p  &#221;&#246;           > 70 04 B9 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C590BFF30, 16 bytes long.
 Data: < &#192;&#183;&#221;&#246;           > 18 C0 B7 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra