Task 38674279
| Name | test_691-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5794_0 |
| Workunit | 31616324 |
| Created | 26 Oct 2026, 4:48:20 UTC |
| Sent | 26 Oct 2026, 4:48:32 UTC |
| Report deadline | 31 Oct 2026, 4:48:32 UTC |
| Received | 26 Oct 2026, 5:44:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 54 min 48 sec |
| CPU time | 52 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.88 MB |
| Peak swap size | 13.42 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:45:15 (16312): wrapper (7.9.26016): starting
11:45:15 (16312): 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
11:45:16 (16312): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:45:16 (16312): 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\37\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\37\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
12:38:57 (16312): C:/Windows/system32/cmd.exe exited; CPU time 3170.031250
12:38:57 (16312): 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: 47805253 bytes.
Dumping objects ->
{3835242} normal block at 0x000001DCE190DB60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001DCE190DCB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000001DCE190E340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x000001DCE190DC40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000001DCDFD15040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x000001DCE195B2B0, 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) : {3835154} normal block at 0x000001DCDFD0BA40, 8 bytes long.
Data: < ÉßÜ > 00 00 C9 DF DC 01 00 00
{3833985} normal block at 0x000001DCDFD0B9F0, 8 bytes long.
Data: < TžáÜ > 20 54 9E E1 DC 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001DCDFD12530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001DCDFD06F70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x000001DCDFD172B0, 16 bytes long.
Data: <Ø|ÑßÜ > D8 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001DCDFD16B80, 16 bytes long.
Data: <°|ÑßÜ > B0 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001DCDFD0F7A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x000001DCDFD174E0, 16 bytes long.
Data: < |ÑßÜ > 88 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001DCDFD17260, 16 bytes long.
Data: <`|ÑßÜ > 60 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001DCDFD16B30, 16 bytes long.
Data: <8|ÑßÜ > 38 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001DCDFD17440, 16 bytes long.
Data: < |ÑßÜ > 10 7C D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001DCDFD14D30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x000001DCDFD17490, 16 bytes long.
Data: <ØþÏßÜ > D8 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001DCDFD0F8C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x000001DCDFD16D60, 16 bytes long.
Data: <°þÏßÜ > B0 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DCDFD17580, 16 bytes long.
Data: < þÏßÜ > 88 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DCDFD16D10, 16 bytes long.
Data: <`þÏßÜ > 60 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DCDFD16F90, 16 bytes long.
Data: <8þÏßÜ > 38 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DCDFD16EA0, 16 bytes long.
Data: < þÏßÜ > 10 FE CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DCDFD173F0, 16 bytes long.
Data: <èýÏßÜ > E8 FD CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DCDFD0F680, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x000001DCDFD17080, 16 bytes long.
Data: <ÀýÏßÜ > C0 FD CF DF DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DCDFCFFDC0, 320 bytes long.
Data: < pÑßÜ öÐßÜ > 80 70 D1 DF DC 01 00 00 80 F6 D0 DF DC 01 00 00
{288} normal block at 0x000001DCDFD16CC0, 16 bytes long.
Data: <ð{ÑßÜ > F0 7B D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DCDFD16BD0, 16 bytes long.
Data: <È{ÑßÜ > C8 7B D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DCDFD0FD40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x000001DCDFD173A0, 16 bytes long.
Data: < {ÑßÜ > A0 7B D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DCDFD0FA40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x000001DCDFD17350, 16 bytes long.
Data: <èzÑßÜ > E8 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DCDFD17530, 16 bytes long.
Data: <ÀzÑßÜ > C0 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DCDFD17300, 16 bytes long.
Data: < zÑßÜ > 98 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DCDFD170D0, 16 bytes long.
Data: <pzÑßÜ > 70 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DCDFD16EF0, 16 bytes long.
Data: <HzÑßÜ > 48 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DCDFD16C70, 16 bytes long.
Data: < zÑßÜ > 20 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DCDFD16AE0, 16 bytes long.
Data: < NÑßÜ > 10 4E D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DCDFD14E10, 40 bytes long.
Data: <àjÑßÜ °²•áÜ > E0 6A D1 DF DC 01 00 00 B0 B2 95 E1 DC 01 00 00
{274} normal block at 0x000001DCDFD17030, 16 bytes long.
Data: < zÑßÜ > 00 7A D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DCDFD17940, 16 bytes long.
Data: <ØyÑßÜ > D8 79 D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DCDFD0FB60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x000001DCDFD169F0, 16 bytes long.
Data: <°yÑßÜ > B0 79 D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DCDFD179B0, 992 bytes long.
Data: <ðiÑßÜ `ûÐßÜ > F0 69 D1 DF DC 01 00 00 60 FB D0 DF DC 01 00 00
{106} normal block at 0x000001DCDFD0F200, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x000001DCDFD0C080, 16 bytes long.
Data: < RÑßÜ > 00 52 D1 DF DC 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001DCDFD15200, 40 bytes long.
Data: < ÀÐßÜ òÐßÜ > 80 C0 D0 DF DC 01 00 00 00 F2 D0 DF DC 01 00 00
{83} normal block at 0x000001DCDFD0BEF0, 16 bytes long.
Data: < êž"ö > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001DCDFD0C030, 16 bytes long.
Data: <@éž"ö > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001DCDFD0BE00, 16 bytes long.
Data: <øW›"ö > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001DCDFD0BBD0, 16 bytes long.
Data: <ØW›"ö > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001DCDFD0B9A0, 16 bytes long.
Data: <P ›"ö > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001DCDFD0B8B0, 16 bytes long.
Data: <0 ›"ö > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001DCDFD0B770, 16 bytes long.
Data: <à ›"ö > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001DCDFD0B630, 16 bytes long.
Data: < ›"ö > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001DCDFD0BF90, 16 bytes long.
Data: <p ›"ö > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001DCDFD0BEA0, 16 bytes long.
Data: < À "ö > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra