Task 38653905
| Name | test_174-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND7413_0 |
| Workunit | 31597777 |
| Created | 24 Oct 2026, 6:22:08 UTC |
| Sent | 24 Oct 2026, 7:23:45 UTC |
| Report deadline | 29 Oct 2026, 7:23:45 UTC |
| Received | 24 Oct 2026, 7:48:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643341 |
| Run time | 20 min 45 sec |
| CPU time | 16 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.04 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:28:36 (652): wrapper (7.9.26016): starting
09:28:36 (652): 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
09:28:37 (652): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:28:37 (652): 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 'D:\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 'D:\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
09:48:04 (652): C:/Windows/system32/cmd.exe exited; CPU time 1017.875000
09:48:04 (652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27064333 bytes.
Dumping objects ->
{3835203} normal block at 0x000002CCAF595F90, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835192} normal block at 0x000002CCB169F250, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835181} normal block at 0x000002CCB169F1F0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835170} normal block at 0x000002CCB169F190, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835159} normal block at 0x000002CCB169F790, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835128} normal block at 0x000002CCAF595EB0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000002CCAF58CEE0, 8 bytes long.
Data: < <¯Ì > 00 00 3C AF CC 02 00 00
{3833961} normal block at 0x000002CCAF58CE90, 8 bytes long.
Data: < 5k±Ì > 00 35 6B B1 CC 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002CCAF585BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002CCAF58F070, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002CCAF594600, 16 bytes long.
Data: <xYY¯Ì > 78 59 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002CCAF594CE0, 16 bytes long.
Data: <PYY¯Ì > 50 59 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CCAF58FAB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002CCAF5949C0, 16 bytes long.
Data: <(YY¯Ì > 28 59 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CCAF594880, 16 bytes long.
Data: < YY¯Ì > 00 59 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002CCAF5950F0, 16 bytes long.
Data: <ØXY¯Ì > D8 58 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CCAF594F10, 16 bytes long.
Data: <°XY¯Ì > B0 58 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CCAF5961C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002CCAF595190, 16 bytes long.
Data: <8ðW¯Ì > 38 F0 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CCAF5900B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002CCAF5950A0, 16 bytes long.
Data: < ðW¯Ì > 10 F0 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CCAF5948D0, 16 bytes long.
Data: <èïW¯Ì > E8 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CCAF594F60, 16 bytes long.
Data: <ÀïW¯Ì > C0 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CCAF5945B0, 16 bytes long.
Data: < ïW¯Ì > 98 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CCAF594970, 16 bytes long.
Data: <pïW¯Ì > 70 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002CCAF594BF0, 16 bytes long.
Data: <HïW¯Ì > 48 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CCAF590110, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002CCAF594920, 16 bytes long.
Data: < ïW¯Ì > 20 EF 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CCAF57EF20, 320 bytes long.
Data: < IY¯Ì Y¯Ì > 20 49 59 AF CC 02 00 00 10 01 59 AF CC 02 00 00
{276} normal block at 0x000002CCAF594790, 16 bytes long.
Data: < XY¯Ì > 90 58 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CCAF594560, 16 bytes long.
Data: <hXY¯Ì > 68 58 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CCAF58FB70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002CCAF5946A0, 16 bytes long.
Data: <@XY¯Ì > 40 58 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CCAF58FB10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002CCAF594510, 16 bytes long.
Data: < WY¯Ì > 88 57 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CCAF595050, 16 bytes long.
Data: <`WY¯Ì > 60 57 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CCAF5944C0, 16 bytes long.
Data: <8WY¯Ì > 38 57 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002CCAF594E20, 16 bytes long.
Data: < WY¯Ì > 10 57 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CCAF594EC0, 16 bytes long.
Data: <èVY¯Ì > E8 56 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002CCAF594420, 16 bytes long.
Data: <ÀVY¯Ì > C0 56 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CCAF594C90, 16 bytes long.
Data: <pãX¯Ì > 70 E3 58 AF CC 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CCAF58E370, 40 bytes long.
Data: < LY¯Ì °^Y¯Ì > 90 4C 59 AF CC 02 00 00 B0 5E 59 AF CC 02 00 00
{262} normal block at 0x000002CCAF594AB0, 16 bytes long.
Data: < VY¯Ì > A0 56 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CCAF594380, 16 bytes long.
Data: <xVY¯Ì > 78 56 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002CCAF58F8D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002CCAF594330, 16 bytes long.
Data: <PVY¯Ì > 50 56 59 AF CC 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CCAF595650, 992 bytes long.
Data: <0CY¯Ì ÐøX¯Ì > 30 43 59 AF CC 02 00 00 D0 F8 58 AF CC 02 00 00
{94} normal block at 0x000002CCAF5901D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002CCAF58D660, 16 bytes long.
Data: <ÐóW¯Ì > D0 F3 57 AF CC 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002CCAF57F3D0, 40 bytes long.
Data: <`ÖX¯Ì Ð Y¯Ì > 60 D6 58 AF CC 02 00 00 D0 01 59 AF CC 02 00 00
{71} normal block at 0x000002CCAF58D1B0, 16 bytes long.
Data: < êí½ö > 80 EA ED BD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002CCAF58D070, 16 bytes long.
Data: <@éí½ö > 40 E9 ED BD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002CCAF58D020, 16 bytes long.
Data: <øWê½ö > F8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002CCAF58CA30, 16 bytes long.
Data: <ØWê½ö > D8 57 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002CCAF58D7A0, 16 bytes long.
Data: <P ê½ö > 50 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002CCAF58D5C0, 16 bytes long.
Data: <0 ê½ö > 30 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002CCAF58D4D0, 16 bytes long.
Data: <à ê½ö > E0 02 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002CCAF58CE40, 16 bytes long.
Data: < ê½ö > 10 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002CCAF58CFD0, 16 bytes long.
Data: <p ê½ö > 70 04 EA BD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CCAF58CAD0, 16 bytes long.
Data: < Àè½ö > 18 C0 E8 BD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra