Task 38685879
| Name | test_476-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4882_0 |
| Workunit | 31627333 |
| Created | 27 Oct 2026, 23:24:48 UTC |
| Sent | 27 Oct 2026, 23:24:52 UTC |
| Report deadline | 1 Nov 2026, 23:24:52 UTC |
| Received | 28 Oct 2026, 0:58:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 496592 |
| Run time | 44 min 4 sec |
| CPU time | 43 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,334.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.97 MB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
01:13:49 (1028): wrapper (7.9.26016): starting
01:13:49 (1028): 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
01:13:50 (1028): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:50 (1028): 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
01:57:46 (1028): C:/Windows/system32/cmd.exe exited; CPU time 2582.875000
01:57:46 (1028): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 36587345 bytes.
Dumping objects ->
{3835361} normal block at 0x000002CD74601020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835350} normal block at 0x000002CD74600FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835339} normal block at 0x000002CD746014F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835328} normal block at 0x000002CD74601330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835317} normal block at 0x000002CD74600ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835286} normal block at 0x000002CD746AC990, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x000002CD72B9EEC0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835272} normal block at 0x000002CD72B46DC0, 8 bytes long.
Data: < ±rÍ > 00 00 B1 72 CD 02 00 00
{3834603} normal block at 0x000002CD72B9F3A0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000002CD72B46D70, 8 bytes long.
Data: <`ö¹rÍ > 60 F6 B9 72 CD 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002CD72B519D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CD72B36020, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002CD72B53230, 16 bytes long.
Data: <È>µrÍ > C8 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CD72B531E0, 16 bytes long.
Data: < >µrÍ > A0 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CD72B4B970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002CD72B53190, 16 bytes long.
Data: <x>µrÍ > 78 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CD72B52D80, 16 bytes long.
Data: <P>µrÍ > 50 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CD72B52CE0, 16 bytes long.
Data: <(>µrÍ > 28 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CD72B52BF0, 16 bytes long.
Data: < >µrÍ > 00 3E B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CD72B4D4F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002CD72B52BA0, 16 bytes long.
Data: <¸_³rÍ > B8 5F B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CD72B4C5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002CD72B52B50, 16 bytes long.
Data: < _³rÍ > 90 5F B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CD72B528D0, 16 bytes long.
Data: <h_³rÍ > 68 5F B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CD72B530F0, 16 bytes long.
Data: <@_³rÍ > 40 5F B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CD72B530A0, 16 bytes long.
Data: < _³rÍ > 18 5F B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CD72B53050, 16 bytes long.
Data: <ð^³rÍ > F0 5E B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CD72B533C0, 16 bytes long.
Data: <È^³rÍ > C8 5E B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CD72B4BF70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002CD72B52C90, 16 bytes long.
Data: < ^³rÍ > A0 5E B3 72 CD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CD72B35EA0, 320 bytes long.
Data: < ,µrÍ p¿´rÍ > 90 2C B5 72 CD 02 00 00 70 BF B4 72 CD 02 00 00
{271} normal block at 0x000002CD72B52DD0, 16 bytes long.
Data: <à=µrÍ > E0 3D B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CD72B52880, 16 bytes long.
Data: <¸=µrÍ > B8 3D B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CD72B4C630, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002CD72B53690, 16 bytes long.
Data: < =µrÍ > 90 3D B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CD72B4C030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002CD72B52970, 16 bytes long.
Data: <Ø<µrÍ > D8 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002CD72B52B00, 16 bytes long.
Data: <°<µrÍ > B0 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CD72B53000, 16 bytes long.
Data: < <µrÍ > 88 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CD72B52830, 16 bytes long.
Data: <`<µrÍ > 60 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CD72B52A60, 16 bytes long.
Data: <8<µrÍ > 38 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CD72B52F60, 16 bytes long.
Data: < <µrÍ > 10 3C B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002CD72B527E0, 16 bytes long.
Data: <°Ö´rÍ > B0 D6 B4 72 CD 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CD72B4D6B0, 40 bytes long.
Data: <à'µrÍ ÉjtÍ > E0 27 B5 72 CD 02 00 00 90 C9 6A 74 CD 02 00 00
{257} normal block at 0x000002CD72B52EC0, 16 bytes long.
Data: <ð;µrÍ > F0 3B B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002CD72B52920, 16 bytes long.
Data: <È;µrÍ > C8 3B B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002CD72B4BA90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002CD72B52E70, 16 bytes long.
Data: < ;µrÍ > A0 3B B5 72 CD 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002CD72B53BA0, 992 bytes long.
Data: <p.µrÍ º´rÍ > 70 2E B5 72 CD 02 00 00 90 BA B4 72 CD 02 00 00
{89} normal block at 0x000002CD72B4C1B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002CD72B46F00, 16 bytes long.
Data: < Ø´rÍ > 00 D8 B4 72 CD 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002CD72B4D800, 40 bytes long.
Data: < o´rÍ °Á´rÍ > 00 6F B4 72 CD 02 00 00 B0 C1 B4 72 CD 02 00 00
{66} normal block at 0x000002CD72B47310, 16 bytes long.
Data: < ê&·ö > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002CD72B46C80, 16 bytes long.
Data: <@é&·ö > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002CD72B46B90, 16 bytes long.
Data: <øW#·ö > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002CD72B46D20, 16 bytes long.
Data: <ØW#·ö > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CD72B46AF0, 16 bytes long.
Data: <P #·ö > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002CD72B468C0, 16 bytes long.
Data: <0 #·ö > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002CD72B47540, 16 bytes long.
Data: <à #·ö > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002CD72B47270, 16 bytes long.
Data: < #·ö > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002CD72B47680, 16 bytes long.
Data: <p #·ö > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002CD72B477C0, 16 bytes long.
Data: < À!·ö > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra