Task 38686298
| Name | test_213-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4161_0 |
| Workunit | 31627734 |
| Created | 28 Oct 2026, 1:47:10 UTC |
| Sent | 28 Oct 2026, 1:47:16 UTC |
| Report deadline | 2 Nov 2026, 1:47:16 UTC |
| Received | 28 Oct 2026, 3:35:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653248 |
| Run time | 36 min 30 sec |
| CPU time | 34 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,933.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.94 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:50:12 (25584): wrapper (7.9.26016): starting
22:50:12 (25584): 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
22:50:13 (25584): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:50:13 (25584): 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\7\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\7\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
23:25:18 (25584): C:/Windows/system32/cmd.exe exited; CPU time 2079.953125
23:25:18 (25584): 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: 36007301 bytes.
Dumping objects ->
{3835185} normal block at 0x000002BABCF24DF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x000002BABCF24CA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000002BABCF24E60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835152} normal block at 0x000002BABCF24D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x000002BABCF24BC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835110} normal block at 0x000002BABEC29DC0, 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) : {3835097} normal block at 0x000002BABCF20690, 8 bytes long.
Data: < U½º > 00 00 55 BD BA 02 00 00
{3833953} normal block at 0x000002BABCF211D0, 8 bytes long.
Data: <Шô¼º > D0 A8 F4 BC BA 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002BABCF1F1B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BABCF15A40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002BABCF25750, 16 bytes long.
Data: <Èfò¼º > C8 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BABCF25DE0, 16 bytes long.
Data: < fò¼º > A0 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BABCF1F880, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002BABCF26100, 16 bytes long.
Data: <xfò¼º > 78 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BABCF25D40, 16 bytes long.
Data: <Pfò¼º > 50 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BABCF25930, 16 bytes long.
Data: <(fò¼º > 28 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BABCF25700, 16 bytes long.
Data: < fò¼º > 00 66 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BABCF248B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002BABCF25CA0, 16 bytes long.
Data: < ãñ¼º > 08 E3 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BABCF20120, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002BABCF25660, 16 bytes long.
Data: <àâñ¼º > E0 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BABCF25610, 16 bytes long.
Data: <¸âñ¼º > B8 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BABCF25AC0, 16 bytes long.
Data: < âñ¼º > 90 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BABCF26010, 16 bytes long.
Data: <hâñ¼º > 68 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BABCF25F20, 16 bytes long.
Data: <@âñ¼º > 40 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BABCF253E0, 16 bytes long.
Data: < âñ¼º > 18 E2 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BABCF20060, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002BABCF260B0, 16 bytes long.
Data: <ðáñ¼º > F0 E1 F1 BC BA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BABCF1E1F0, 320 bytes long.
Data: <°`ò¼º ` ò¼º > B0 60 F2 BC BA 02 00 00 60 00 F2 BC BA 02 00 00
{272} normal block at 0x000002BABCF25ED0, 16 bytes long.
Data: <àeò¼º > E0 65 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BABCF255C0, 16 bytes long.
Data: <¸eò¼º > B8 65 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BABCF1F7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002BABCF25FC0, 16 bytes long.
Data: < eò¼º > 90 65 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BABCF200C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002BABCF25A20, 16 bytes long.
Data: <Ødò¼º > D8 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BABCF25570, 16 bytes long.
Data: <°dò¼º > B0 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BABCF25F70, 16 bytes long.
Data: < dò¼º > 88 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BABCF262E0, 16 bytes long.
Data: <`dò¼º > 60 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BABCF26060, 16 bytes long.
Data: <8dò¼º > 38 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BABCF25520, 16 bytes long.
Data: < dò¼º > 10 64 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BABCF258E0, 16 bytes long.
Data: <pJò¼º > 70 4A F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BABCF24A70, 40 bytes long.
Data: <àXò¼º À ¾º > E0 58 F2 BC BA 02 00 00 C0 9D C2 BE BA 02 00 00
{258} normal block at 0x000002BABCF256B0, 16 bytes long.
Data: <ðcò¼º > F0 63 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002BABCF254D0, 16 bytes long.
Data: <Ècò¼º > C8 63 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BABCF202A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002BABCF261A0, 16 bytes long.
Data: < cò¼º > A0 63 F2 BC BA 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002BABCF263A0, 992 bytes long.
Data: < aò¼º   ò¼º > A0 61 F2 BC BA 02 00 00 A0 02 F2 BC BA 02 00 00
{90} normal block at 0x000002BABCF1FC40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002BABCF20730, 16 bytes long.
Data: <°ì𼺠> B0 EC F0 BC BA 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002BABCF0ECB0, 40 bytes long.
Data: <0 ò¼º @üñ¼º > 30 07 F2 BC BA 02 00 00 40 FC F1 BC BA 02 00 00
{67} normal block at 0x000002BABCF205F0, 16 bytes long.
Data: < ê¦ ö > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BABCF20500, 16 bytes long.
Data: <@é¦ ö > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BABCF21090, 16 bytes long.
Data: <øW£ ö > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BABCF20E10, 16 bytes long.
Data: <ØW£ ö > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BABCF20410, 16 bytes long.
Data: <P £ ö > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BABCF20BE0, 16 bytes long.
Data: <0 £ ö > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BABCF20640, 16 bytes long.
Data: <à £ ö > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BABCF20DC0, 16 bytes long.
Data: < £ ö > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002BABCF208C0, 16 bytes long.
Data: <p £ ö > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002BABCF20FF0, 16 bytes long.
Data: < À¡ ö > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra