Task 38681433
| Name | test_24-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5653_0 |
| Workunit | 31623098 |
| Created | 27 Oct 2026, 3:58:39 UTC |
| Sent | 27 Oct 2026, 3:58:45 UTC |
| Report deadline | 1 Nov 2026, 3:58:45 UTC |
| Received | 27 Oct 2026, 4:43:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610687 |
| Run time | 21 min 18 sec |
| CPU time | 19 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,259.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 761.36 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:22:27 (29600): wrapper (7.9.26016): starting
06:22:27 (29600): 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
06:22:29 (29600): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:22:29 (29600): 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
06:42:58 (29600): C:/Windows/system32/cmd.exe exited; CPU time 1185.718750
06:42:58 (29600): 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: 26583699 bytes.
Dumping objects ->
{3835275} normal block at 0x000002C659227B50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x000002C657623DE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x000002C657623C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835242} normal block at 0x000002C657623BB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000002C657623FA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835200} normal block at 0x000002C6593686F0, 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) : {3835187} normal block at 0x000002C65761DFA0, 8 bytes long.
Data: <  WÆ > 00 00 A0 57 C6 02 00 00
{3833939} normal block at 0x000002C65761E2C0, 8 bytes long.
Data: <`ŠdWÆ > 60 8A 64 57 C6 02 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002C65761EEC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C657615170, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x000002C6576251E0, 16 bytes long.
Data: <ÈHbWÆ > C8 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C6576254B0, 16 bytes long.
Data: < HbWÆ > A0 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C6576231C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x000002C657624F60, 16 bytes long.
Data: <xHbWÆ > 78 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C657625280, 16 bytes long.
Data: <PHbWÆ > 50 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C657624C90, 16 bytes long.
Data: <(HbWÆ > 28 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C6576255A0, 16 bytes long.
Data: < HbWÆ > 00 48 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C6576240F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x000002C657624CE0, 16 bytes long.
Data: < DbWÆ > 88 44 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C6576228C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x000002C657625190, 16 bytes long.
Data: <`DbWÆ > 60 44 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C657625730, 16 bytes long.
Data: <8DbWÆ > 38 44 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C657625050, 16 bytes long.
Data: < DbWÆ > 10 44 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C657625640, 16 bytes long.
Data: <èCbWÆ > E8 43 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C657625140, 16 bytes long.
Data: <ÀCbWÆ > C0 43 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C657625690, 16 bytes long.
Data: < CbWÆ > 98 43 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C657623640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x000002C6576250F0, 16 bytes long.
Data: <pCbWÆ > 70 43 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C657624370, 320 bytes long.
Data: <ðPbWÆ @6bWÆ > F0 50 62 57 C6 02 00 00 40 36 62 57 C6 02 00 00
{265} normal block at 0x000002C657624F10, 16 bytes long.
Data: <àGbWÆ > E0 47 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C657625910, 16 bytes long.
Data: <¸GbWÆ > B8 47 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C657622800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x000002C657624BF0, 16 bytes long.
Data: < GbWÆ > 90 47 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C657622BC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x000002C6576250A0, 16 bytes long.
Data: <ØFbWÆ > D8 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C657624C40, 16 bytes long.
Data: <°FbWÆ > B0 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C657624A60, 16 bytes long.
Data: < FbWÆ > 88 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C6576253C0, 16 bytes long.
Data: <`FbWÆ > 60 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002C657624D80, 16 bytes long.
Data: <8FbWÆ > 38 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C65761E4A0, 16 bytes long.
Data: < FbWÆ > 10 46 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002C65761E450, 16 bytes long.
Data: <P>bWÆ > 50 3E 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002C657623E50, 40 bytes long.
Data: <PäaWÆ ð†6YÆ > 50 E4 61 57 C6 02 00 00 F0 86 36 59 C6 02 00 00
{251} normal block at 0x000002C65761E220, 16 bytes long.
Data: <ðEbWÆ > F0 45 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002C65761D9B0, 16 bytes long.
Data: <ÈEbWÆ > C8 45 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000002C657622D40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x000002C65761E7C0, 16 bytes long.
Data: < EbWÆ > A0 45 62 57 C6 02 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x000002C6576245A0, 992 bytes long.
Data: <ÀçaWÆ @-bWÆ > C0 E7 61 57 C6 02 00 00 40 2D 62 57 C6 02 00 00
{83} normal block at 0x000002C65760F720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x000002C65761DDC0, 16 bytes long.
Data: < ï`WÆ > 20 EF 60 57 C6 02 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002C65760EF20, 40 bytes long.
Data: <ÀÝaWÆ ÷`WÆ > C0 DD 61 57 C6 02 00 00 20 F7 60 57 C6 02 00 00
{60} normal block at 0x000002C65761DD70, 16 bytes long.
Data: < ê00÷ > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C65761E270, 16 bytes long.
Data: <@é00÷ > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002C65761E3B0, 16 bytes long.
Data: <øW-0÷ > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002C65761E680, 16 bytes long.
Data: <ØW-0÷ > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002C65761E5E0, 16 bytes long.
Data: <P -0÷ > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002C65761D870, 16 bytes long.
Data: <0 -0÷ > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002C65761E090, 16 bytes long.
Data: <à -0÷ > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002C65761DC30, 16 bytes long.
Data: < -0÷ > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002C65761DF00, 16 bytes long.
Data: <p -0÷ > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x000002C65761DFF0, 16 bytes long.
Data: < À+0÷ > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra