Task 38648902
| Name | test_639-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5935_0 |
| Workunit | 31593582 |
| Created | 23 Oct 2026, 20:54:54 UTC |
| Sent | 24 Oct 2026, 3:10:10 UTC |
| Report deadline | 29 Oct 2026, 3:10:10 UTC |
| Received | 24 Oct 2026, 4:45:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 13 min 54 sec |
| CPU time | 13 min 42 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 | 729.37 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:30:49 (4256): wrapper (7.9.26016): starting
06:30:49 (4256): 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
06:30:50 (4256): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:30:50 (4256): 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\5\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\5\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
06:45:23 (4256): C:/Windows/system32/cmd.exe exited; CPU time 822.828125
06:45:23 (4256): 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: 19176197 bytes.
Dumping objects ->
{3835581} normal block at 0x000001DD5D8FD1D0, 64 bytes long.
Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835570} normal block at 0x000001DD5D8FD350, 64 bytes long.
Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835559} normal block at 0x000001DD5BA64700, 48 bytes long.
Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74
{3835548} normal block at 0x000001DD5D8FD050, 64 bytes long.
Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74
{3835537} normal block at 0x000001DD5D8FD550, 64 bytes long.
Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C
{3835506} normal block at 0x000001DD5BA559F0, 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) : {3835493} normal block at 0x000001DD5BA5EFC0, 8 bytes long.
Data: < g]Ý > 00 00 67 5D DD 01 00 00
{3833963} normal block at 0x000001DD5BA5E980, 8 bytes long.
Data: <Pؤ[Ý > 50 D8 A4 5B DD 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001DD5BA60D60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DD5BA55C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001DD5BA65080, 16 bytes long.
Data: <è`¦[Ý > E8 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DD5BA65620, 16 bytes long.
Data: <À`¦[Ý > C0 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DD5BA5FA30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001DD5BA65990, 16 bytes long.
Data: < `¦[Ý > 98 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DD5BA65300, 16 bytes long.
Data: <p`¦[Ý > 70 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DD5BA659E0, 16 bytes long.
Data: <H`¦[Ý > 48 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DD5BA65AD0, 16 bytes long.
Data: < `¦[Ý > 20 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DD5BA64930, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001DD5BA658F0, 16 bytes long.
Data: <¨A¦[Ý > A8 41 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DD5BA5F9D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001DD5BA64F40, 16 bytes long.
Data: < A¦[Ý > 80 41 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DD5BA65530, 16 bytes long.
Data: <XA¦[Ý > 58 41 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DD5BA652B0, 16 bytes long.
Data: <0A¦[Ý > 30 41 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DD5BA65350, 16 bytes long.
Data: < A¦[Ý > 08 41 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DD5BA658A0, 16 bytes long.
Data: <à@¦[Ý > E0 40 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DD5BA65210, 16 bytes long.
Data: <¸@¦[Ý > B8 40 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DD5BA5FF10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001DD5BA655D0, 16 bytes long.
Data: < @¦[Ý > 90 40 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DD5BA64090, 320 bytes long.
Data: <ÐU¦[Ý ÿ¥[Ý > D0 55 A6 5B DD 01 00 00 10 FF A5 5B DD 01 00 00
{277} normal block at 0x000001DD5BA65170, 16 bytes long.
Data: < `¦[Ý > 00 60 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DD5BA65580, 16 bytes long.
Data: <Ø_¦[Ý > D8 5F A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DD5BA5F0D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001DD5BA65C10, 16 bytes long.
Data: <°_¦[Ý > B0 5F A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DD5BA5F2B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001DD5BA654E0, 16 bytes long.
Data: <ø^¦[Ý > F8 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DD5BA65D50, 16 bytes long.
Data: <Ð^¦[Ý > D0 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DD5BA64EA0, 16 bytes long.
Data: <¨^¦[Ý > A8 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DD5BA65A80, 16 bytes long.
Data: < ^¦[Ý > 80 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DD5BA64E50, 16 bytes long.
Data: <X^¦[Ý > 58 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DD5BA65800, 16 bytes long.
Data: <0^¦[Ý > 30 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DD5BA653F0, 16 bytes long.
Data: <°E¦[Ý > B0 45 A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DD5BA645B0, 40 bytes long.
Data: <ðS¦[Ý ðY¥[Ý > F0 53 A6 5B DD 01 00 00 F0 59 A5 5B DD 01 00 00
{263} normal block at 0x000001DD5BA65760, 16 bytes long.
Data: < ^¦[Ý > 10 5E A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DD5BA65940, 16 bytes long.
Data: <è]¦[Ý > E8 5D A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DD5BA5F790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001DD5BA651C0, 16 bytes long.
Data: <À]¦[Ý > C0 5D A6 5B DD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DD5BA65DC0, 992 bytes long.
Data: <ÀQ¦[Ý ÷¥[Ý > C0 51 A6 5B DD 01 00 00 90 F7 A5 5B DD 01 00 00
{95} normal block at 0x000001DD5BA5F3D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001DD5BA5E4D0, 16 bytes long.
Data: < ݤ[Ý > 80 DD A4 5B DD 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001DD5BA4DD80, 40 bytes long.
Data: <Ðä¥[Ý Ðó¥[Ý > D0 E4 A5 5B DD 01 00 00 D0 F3 A5 5B DD 01 00 00
{72} normal block at 0x000001DD5BA5ED40, 16 bytes long.
Data: < ê Àö > 80 EA 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DD5BA5E480, 16 bytes long.
Data: <@é Àö > 40 E9 08 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DD5BA5E930, 16 bytes long.
Data: <øW Àö > F8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DD5BA5E1B0, 16 bytes long.
Data: <ØW Àö > D8 57 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DD5BA5E750, 16 bytes long.
Data: <P Àö > 50 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DD5BA5E390, 16 bytes long.
Data: <0 Àö > 30 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DD5BA5EF70, 16 bytes long.
Data: <à Àö > E0 02 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DD5BA5EDE0, 16 bytes long.
Data: < Àö > 10 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DD5BA5EAC0, 16 bytes long.
Data: <p Àö > 70 04 05 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DD5BA5E8E0, 16 bytes long.
Data: < À Àö > 18 C0 03 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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