Task 38652833
| Name | test_651-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8236_1 |
| Workunit | 31596797 |
| Created | 24 Oct 2026, 4:35:53 UTC |
| Sent | 24 Oct 2026, 4:45:45 UTC |
| Report deadline | 29 Oct 2026, 4:45:45 UTC |
| Received | 24 Oct 2026, 6:15:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654792 |
| Run time | 17 min 9 sec |
| CPU time | 16 min 6 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 | 730.74 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>
07:58:22 (8276): wrapper (7.9.26016): starting
07:58:22 (8276): 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
07:58:23 (8276): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:58:23 (8276): 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
08:15:16 (8276): C:/Windows/system32/cmd.exe exited; CPU time 966.375000
08:15:16 (8276): 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: 21920747 bytes.
Dumping objects ->
{3835581} normal block at 0x000001B4CE4E5150, 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 0x000001B4CE4E4FD0, 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 0x000001B4CC814C80, 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 0x000001B4CE4E5950, 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 0x000001B4CE4E4F50, 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 0x000001B4CC7FEC00, 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 0x000001B4CC80F530, 8 bytes long.
Data: < ÃÌ´ > 00 00 C3 CC B4 01 00 00
{3833963} normal block at 0x000001B4CC80F670, 8 bytes long.
Data: <0¸ƒÌ´ > 30 B8 83 CC B4 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B4CC810B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B4CC7FE9C0, 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 0x000001B4CC8156F0, 16 bytes long.
Data: < f Ì´ > 18 66 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B4CC815470, 16 bytes long.
Data: <ðe Ì´ > F0 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B4CC80FAF0, 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 0x000001B4CC8159C0, 16 bytes long.
Data: <Èe Ì´ > C8 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B4CC815600, 16 bytes long.
Data: < e Ì´ > A0 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B4CC8160F0, 16 bytes long.
Data: <xe Ì´ > 78 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B4CC815420, 16 bytes long.
Data: <Pe Ì´ > 50 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B4CC814AC0, 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 0x000001B4CC8160A0, 16 bytes long.
Data: <¸ Ì´ > B8 8D 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B4CC80F970, 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 0x000001B4CC8153D0, 16 bytes long.
Data: < Ì´ > 90 8D 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B4CC815A60, 16 bytes long.
Data: <h Ì´ > 68 8D 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B4CC815380, 16 bytes long.
Data: <@ Ì´ > 40 8D 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B4CC815D30, 16 bytes long.
Data: < Ì´ > 18 8D 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B4CC8157E0, 16 bytes long.
Data: <ðŒ Ì´ > F0 8C 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4CC815330, 16 bytes long.
Data: <Ȍ ̴ > C8 8C 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B4CC810150, 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 0x000001B4CC815BF0, 16 bytes long.
Data: < Œ Ì´ > A0 8C 80 CC B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B4CC808CA0, 320 bytes long.
Data: <ð[ Ì´ P Ì´ > F0 5B 81 CC B4 01 00 00 50 01 81 CC B4 01 00 00
{277} normal block at 0x000001B4CC815880, 16 bytes long.
Data: <0e Ì´ > 30 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B4CC815740, 16 bytes long.
Data: < e Ì´ > 08 65 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4CC80F7F0, 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 0x000001B4CC8155B0, 16 bytes long.
Data: <àd Ì´ > E0 64 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4CC80FDF0, 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 0x000001B4CC815DD0, 16 bytes long.
Data: <(d Ì´ > 28 64 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B4CC816280, 16 bytes long.
Data: < d Ì´ > 00 64 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B4CC816230, 16 bytes long.
Data: <Øc Ì´ > D8 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B4CC8161E0, 16 bytes long.
Data: <°c Ì´ > B0 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B4CC815BA0, 16 bytes long.
Data: < c Ì´ > 88 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B4CC815560, 16 bytes long.
Data: <`c Ì´ > 60 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B4CC815EC0, 16 bytes long.
Data: <pI Ì´ > 70 49 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B4CC814970, 40 bytes long.
Data: <À^ Ì´ ì Ì´ > C0 5E 81 CC B4 01 00 00 00 EC 7F CC B4 01 00 00
{263} normal block at 0x000001B4CC815790, 16 bytes long.
Data: <@c Ì´ > 40 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B4CC816190, 16 bytes long.
Data: < c Ì´ > 18 63 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B4CC80FA30, 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 0x000001B4CC816140, 16 bytes long.
Data: <ðb Ì´ > F0 62 81 CC B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B4CC8162F0, 992 bytes long.
Data: <@a Ì´ 0ú Ì´ > 40 61 81 CC B4 01 00 00 30 FA 80 CC B4 01 00 00
{95} normal block at 0x000001B4CC80FA90, 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 0x000001B4CC80F620, 16 bytes long.
Data: < þ Ì´ > A0 FE 7F CC B4 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B4CC7FFEA0, 40 bytes long.
Data: < ö Ì´ ú Ì´ > 20 F6 80 CC B4 01 00 00 90 FA 80 CC B4 01 00 00
{72} normal block at 0x000001B4CC80EB30, 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 0x000001B4CC80EC20, 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 0x000001B4CC80F300, 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 0x000001B4CC80F490, 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 0x000001B4CC80F3A0, 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 0x000001B4CC80EE00, 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 0x000001B4CC80EF40, 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 0x000001B4CC80F5D0, 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 0x000001B4CC80F580, 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 0x000001B4CC80EAE0, 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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