Task 38676988
| Name | test_688-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5708_0 |
| Workunit | 31618879 |
| Created | 26 Oct 2026, 12:55:30 UTC |
| Sent | 26 Oct 2026, 12:55:37 UTC |
| Report deadline | 31 Oct 2026, 12:55:37 UTC |
| Received | 26 Oct 2026, 15:14:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654843 |
| Run time | 49 min 9 sec |
| CPU time | 40 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.08 MB |
| Peak swap size | 1.56 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:26:14 (7348): wrapper (7.9.26016): starting
16:26:14 (7348): 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
16:26:16 (7348): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:26:16 (7348): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
17:12:48 (7348): C:/Windows/system32/cmd.exe exited; CPU time 2442.609375
17:12:48 (7348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 30173667 bytes.
Dumping objects ->
{3835229} normal block at 0x0000019453DF1EC0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000019453DF2550, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000019453DF1BB0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x0000019453DF1910, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000019453DF2160, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x0000019453D4BC00, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835143} normal block at 0x00000194522D4F60, 160 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) : {3835140} normal block at 0x00000194522A59D0, 8 bytes long.
Data: < ëS” > 00 00 EB 53 94 01 00 00
{3834539} normal block at 0x00000194522D4CC0, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000194522A61A0, 8 bytes long.
Data: < ò*R” > 10 F2 2A 52 94 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000194522AF710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001945229A0D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000194522AFE80, 16 bytes long.
Data: <Ø$+R” > D8 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000194522B0A10, 16 bytes long.
Data: <°$+R” > B0 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000194522AB660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000194522B08D0, 16 bytes long.
Data: < $+R” > 88 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000194522B0470, 16 bytes long.
Data: <`$+R” > 60 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000194522B03D0, 16 bytes long.
Data: <8$+R” > 38 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000194522B0330, 16 bytes long.
Data: < $+R” > 10 24 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000194522AA400, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000194522B0290, 16 bytes long.
Data: <8Z)R” > 38 5A 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000194522AB7E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000194522B0240, 16 bytes long.
Data: < Z)R” > 10 5A 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000194522B0060, 16 bytes long.
Data: <èY)R” > E8 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000194522B01F0, 16 bytes long.
Data: <ÀY)R” > C0 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000194522B0010, 16 bytes long.
Data: < Y)R” > 98 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000194522B0790, 16 bytes long.
Data: <pY)R” > 70 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000194522B04C0, 16 bytes long.
Data: <HY)R” > 48 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000194522ABFC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000194522B0150, 16 bytes long.
Data: < Y)R” > 20 59 29 52 94 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019452295920, 320 bytes long.
Data: <P +R” À¿*R” > 50 01 2B 52 94 01 00 00 C0 BF 2A 52 94 01 00 00
{268} normal block at 0x00000194522B0C40, 16 bytes long.
Data: <ð#+R” > F0 23 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000194522B0600, 16 bytes long.
Data: <È#+R” > C8 23 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000194522ABF60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000194522B0830, 16 bytes long.
Data: < #+R” > A0 23 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000194522ABD80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000194522B0740, 16 bytes long.
Data: <è"+R” > E8 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000194522B06A0, 16 bytes long.
Data: <À"+R” > C0 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000194522B01A0, 16 bytes long.
Data: < "+R” > 98 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000194522B02E0, 16 bytes long.
Data: <p"+R” > 70 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000194522AFE30, 16 bytes long.
Data: <H"+R” > 48 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000194522B0380, 16 bytes long.
Data: < "+R” > 20 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000194522B0880, 16 bytes long.
Data: <À¥*R” > C0 A5 2A 52 94 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000194522AA5C0, 40 bytes long.
Data: < +R” ¼ÔS” > 80 08 2B 52 94 01 00 00 00 BC D4 53 94 01 00 00
{254} normal block at 0x00000194522B0920, 16 bytes long.
Data: < "+R” > 00 22 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000194522B0D30, 16 bytes long.
Data: <Ø!+R” > D8 21 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000194522AC1A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000194522AFF70, 16 bytes long.
Data: <°!+R” > B0 21 2B 52 94 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000194522B21B0, 992 bytes long.
Data: <pÿ*R”  Á*R” > 70 FF 2A 52 94 01 00 00 A0 C1 2A 52 94 01 00 00
{86} normal block at 0x00000194522ABDE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000194522A55C0, 16 bytes long.
Data: <@¢*R” > 40 A2 2A 52 94 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000194522AA240, 40 bytes long.
Data: <ÀU*R” à½*R” > C0 55 2A 52 94 01 00 00 E0 BD 2A 52 94 01 00 00
{63} normal block at 0x00000194522A5980, 16 bytes long.
Data: < ê‰ï÷ > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000194522A5D40, 16 bytes long.
Data: <@é‰ï÷ > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000194522A5930, 16 bytes long.
Data: <øW†ï÷ > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000194522A5CA0, 16 bytes long.
Data: <ØW†ï÷ > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000194522A6100, 16 bytes long.
Data: <P †ï÷ > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000194522A5750, 16 bytes long.
Data: <0 †ï÷ > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000194522A58E0, 16 bytes long.
Data: <à †ï÷ > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000194522A62E0, 16 bytes long.
Data: < †ï÷ > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000194522A5E80, 16 bytes long.
Data: <p †ï÷ > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000194522A5660, 16 bytes long.
Data: < À„ï÷ > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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