Task 38664822
| Name | test_404-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3875_0 |
| Workunit | 31607947 |
| Created | 25 Oct 2026, 0:13:27 UTC |
| Sent | 25 Oct 2026, 6:13:52 UTC |
| Report deadline | 30 Oct 2026, 6:13:52 UTC |
| Received | 25 Oct 2026, 7:17:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 17 min 53 sec |
| CPU time | 16 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.14 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:00:08 (31220): wrapper (7.9.26016): starting
08:00:08 (31220): 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
08:00:09 (31220): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:00:09 (31220): 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 'F:\Festplattenpogramme\Boinc\Boincy\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 'F:\Festplattenpogramme\Boinc\Boincy\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
08:17:13 (31220): C:/Windows/system32/cmd.exe exited; CPU time 986.718750
08:17:13 (31220): called boinc_finish(0)
0 bytes in 0 Free Blocks.
336 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: 22933933 bytes.
Dumping objects ->
{3835573} normal block at 0x000002B54CE5C6D0, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835562} normal block at 0x000002B54CE5C950, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835551} normal block at 0x000002B54B2B45B0, 48 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{3835540} normal block at 0x000002B54CE5CFD0, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835529} normal block at 0x000002B54CE5CF50, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{3835498} normal block at 0x000002B54B2A5410, 80 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
..\api\boinc_api.cpp(309) : {3835485} normal block at 0x000002B54B2AEC60, 8 bytes long.
Data: < dKµ > 00 00 64 4B B5 02 00 00
{3833955} normal block at 0x000002B54B2AED00, 8 bytes long.
Data: <à³-Kµ > E0 B3 2D 4B B5 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002B54B2B0410, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B54B2A56E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002B54B2B5D00, 16 bytes long.
Data: < `+Kµ > 98 60 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B54B2B5CB0, 16 bytes long.
Data: <p`+Kµ > 70 60 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B54B2AFB20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002B54B2B4FE0, 16 bytes long.
Data: <H`+Kµ > 48 60 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B54B2B50D0, 16 bytes long.
Data: < `+Kµ > 20 60 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B54B2B5C60, 16 bytes long.
Data: <ø_+Kµ > F8 5F 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B54B2B5210, 16 bytes long.
Data: <Ð_+Kµ > D0 5F 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B54B2B4620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002B54B2B56C0, 16 bytes long.
Data: <؇*Kµ > D8 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B54B2AF760, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002B54B2B5850, 16 bytes long.
Data: <°‡*Kµ > B0 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B54B2B5BC0, 16 bytes long.
Data: < ‡*Kµ > 88 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B54B2B52B0, 16 bytes long.
Data: <`‡*Kµ > 60 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B54B2B5030, 16 bytes long.
Data: <8‡*Kµ > 38 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B54B2B5940, 16 bytes long.
Data: < ‡*Kµ > 10 87 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B54B2B4EA0, 16 bytes long.
Data: <è†*Kµ > E8 86 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B54B2AF6A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002B54B2B54E0, 16 bytes long.
Data: <À†*Kµ > C0 86 2A 4B B5 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B54B2A86C0, 320 bytes long.
Data: <àT+Kµ  ö*Kµ > E0 54 2B 4B B5 02 00 00 A0 F6 2A 4B B5 02 00 00
{273} normal block at 0x000002B54B2B57B0, 16 bytes long.
Data: <°_+Kµ > B0 5F 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B54B2B5800, 16 bytes long.
Data: < _+Kµ > 88 5F 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B54B2AF5E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002B54B2B5670, 16 bytes long.
Data: <`_+Kµ > 60 5F 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B54B2AF160, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002B54B2B5260, 16 bytes long.
Data: <¨^+Kµ > A8 5E 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B54B2B5A80, 16 bytes long.
Data: < ^+Kµ > 80 5E 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B54B2B5580, 16 bytes long.
Data: <X^+Kµ > 58 5E 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B54B2B5B70, 16 bytes long.
Data: <0^+Kµ > 30 5E 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B54B2B5080, 16 bytes long.
Data: < ^+Kµ > 08 5E 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B54B2B5440, 16 bytes long.
Data: <à]+Kµ > E0 5D 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B54B2B5710, 16 bytes long.
Data: <PH+Kµ > 50 48 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B54B2B4850, 40 bytes long.
Data: < W+Kµ T*Kµ > 10 57 2B 4B B5 02 00 00 10 54 2A 4B B5 02 00 00
{259} normal block at 0x000002B54B2B5AD0, 16 bytes long.
Data: <À]+Kµ > C0 5D 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B54B2B4F40, 16 bytes long.
Data: < ]+Kµ > 98 5D 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B54B2AF1C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002B54B2B5760, 16 bytes long.
Data: <p]+Kµ > 70 5D 2B 4B B5 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002B54B2B5D70, 992 bytes long.
Data: <`W+Kµ Àñ*Kµ > 60 57 2B 4B B5 02 00 00 C0 F1 2A 4B B5 02 00 00
{91} normal block at 0x000002B54B2AF820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002B54B2AE8A0, 16 bytes long.
Data: <pî)Kµ > 70 EE 29 4B B5 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002B54B29EE70, 40 bytes long.
Data: < è*Kµ ø*Kµ > A0 E8 2A 4B B5 02 00 00 20 F8 2A 4B B5 02 00 00
{68} normal block at 0x000002B54B2AE710, 16 bytes long.
Data: < êl ÷ > 80 EA 6C 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B54B2AECB0, 16 bytes long.
Data: <@él ÷ > 40 E9 6C 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B54B2AEF80, 16 bytes long.
Data: <øWi ÷ > F8 57 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B54B2AEBC0, 16 bytes long.
Data: <ØWi ÷ > D8 57 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B54B2AE120, 16 bytes long.
Data: <P i ÷ > 50 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B54B2AEA30, 16 bytes long.
Data: <0 i ÷ > 30 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B54B2AE2B0, 16 bytes long.
Data: <à i ÷ > E0 02 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B54B2AE030, 16 bytes long.
Data: < i ÷ > 10 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B54B2AED50, 16 bytes long.
Data: <p i ÷ > 70 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B54B2AEEE0, 16 bytes long.
Data: < Àg ÷ > 18 C0 67 03 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra