Task 38664435
| Name | test_11-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4195_0 |
| Workunit | 31607585 |
| Created | 24 Oct 2026, 23:38:16 UTC |
| Sent | 24 Oct 2026, 23:38:24 UTC |
| Report deadline | 29 Oct 2026, 23:38:24 UTC |
| Received | 25 Oct 2026, 1:02:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626877 |
| Run time | 23 min 40 sec |
| CPU time | 21 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.67 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:39:13 (23020): wrapper (7.9.26016): starting
19:39:13 (23020): 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
19:39:14 (23020): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:39:14 (23020): 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\10\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\10\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
20:02:32 (23020): C:/Windows/system32/cmd.exe exited; CPU time 1304.875000
20:02:32 (23020): 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: 28970003 bytes.
Dumping objects ->
{3835213} normal block at 0x000002811F8A5CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x000002811F8A58B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000002811F8A5530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835180} normal block at 0x000002811F8A50D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835169} normal block at 0x000002811F8A5610, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835138} normal block at 0x000002811F7CCD00, 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) : {3835125} normal block at 0x000002811DB2D960, 8 bytes long.
Data: < « > 00 00 AB 1D 81 02 00 00
{3833963} normal block at 0x000002811DB2DFA0, 8 bytes long.
Data: < är > 80 E4 72 1F 81 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002811DB30F30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002811DB26000, 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 0x000002811DB36340, 16 bytes long.
Data: <Xi³ > 58 69 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002811DB35EE0, 16 bytes long.
Data: <0i³ > 30 69 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002811DB2EA40, 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 0x000002811DB357B0, 16 bytes long.
Data: < i³ > 08 69 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002811DB35AD0, 16 bytes long.
Data: <àh³ > E0 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002811DB35D00, 16 bytes long.
Data: <¸h³ > B8 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002811DB35A80, 16 bytes long.
Data: < h³ > 90 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002811DB33A90, 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 0x000002811DB35A30, 16 bytes long.
Data: < ¶± > 18 B6 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002811DB2EC20, 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 0x000002811DB35FD0, 16 bytes long.
Data: <ðµ± > F0 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002811DB35C60, 16 bytes long.
Data: <鵱 > C8 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002811DB35990, 16 bytes long.
Data: < µ± > A0 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002811DB35940, 16 bytes long.
Data: <xµ± > 78 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002811DB35CB0, 16 bytes long.
Data: <Pµ± > 50 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002811DB362A0, 16 bytes long.
Data: <(µ± > 28 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002811DB2EE60, 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 0x000002811DB35F30, 16 bytes long.
Data: < µ± > 00 B5 B1 1D 81 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002811DB1B500, 320 bytes long.
Data: <0_³ `î² > 30 5F B3 1D 81 02 00 00 60 EE B2 1D 81 02 00 00
{277} normal block at 0x000002811DB36570, 16 bytes long.
Data: <ph³ > 70 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002811DB358F0, 16 bytes long.
Data: <Hh³ > 48 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002811DB2EB00, 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 0x000002811DB35E90, 16 bytes long.
Data: < h³ > 20 68 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002811DB2EBC0, 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 0x000002811DB36200, 16 bytes long.
Data: <hg³ > 68 67 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002811DB35710, 16 bytes long.
Data: <@g³ > 40 67 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002811DB359E0, 16 bytes long.
Data: < g³ > 18 67 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002811DB36070, 16 bytes long.
Data: <ðf³ > F0 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002811DB35F80, 16 bytes long.
Data: <Èf³ > C8 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002811DB35E40, 16 bytes long.
Data: < f³ > A0 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002811DB361B0, 16 bytes long.
Data: <À<³ > C0 3C B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002811DB33CC0, 40 bytes long.
Data: <°a³ Í| > B0 61 B3 1D 81 02 00 00 00 CD 7C 1F 81 02 00 00
{263} normal block at 0x000002811DB36250, 16 bytes long.
Data: < f³ > 80 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002811DB364D0, 16 bytes long.
Data: <Xf³ > 58 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002811DB2E9E0, 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 0x000002811DB35760, 16 bytes long.
Data: <0f³ > 30 66 B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002811DB36630, 992 bytes long.
Data: <`W³ àé² > 60 57 B3 1D 81 02 00 00 E0 E9 B2 1D 81 02 00 00
{95} normal block at 0x000002811DB2EE00, 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 0x000002811DB2D190, 16 bytes long.
Data: < :³ > 20 3A B3 1D 81 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002811DB33A20, 40 bytes long.
Data: < Ѳ î² > 90 D1 B2 1D 81 02 00 00 00 EE B2 1D 81 02 00 00
{72} normal block at 0x000002811DB2D3C0, 16 bytes long.
Data: < ê |÷ > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002811DB2D5A0, 16 bytes long.
Data: <@é |÷ > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002811DB2DEB0, 16 bytes long.
Data: <øW |÷ > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002811DB2DA00, 16 bytes long.
Data: <ØW |÷ > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002811DB2DB40, 16 bytes long.
Data: <P |÷ > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002811DB2D910, 16 bytes long.
Data: <0 |÷ > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002811DB2D370, 16 bytes long.
Data: <à |÷ > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002811DB2DAF0, 16 bytes long.
Data: < |÷ > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002811DB2DE60, 16 bytes long.
Data: <p |÷ > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002811DB2D230, 16 bytes long.
Data: < À |÷ > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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