Task 38666734
| Name | test_966-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5187_1 |
| Workunit | 31609138 |
| Created | 25 Oct 2026, 4:31:59 UTC |
| Sent | 25 Oct 2026, 5:05:37 UTC |
| Report deadline | 30 Oct 2026, 5:05:37 UTC |
| Received | 25 Oct 2026, 8:42:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631621 |
| Run time | 3 hours 20 min 28 sec |
| CPU time | 3 hours 20 min 28 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| 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 | 735.16 MB |
| Peak swap size | 11.47 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:23:40 (30328): wrapper (7.9.26016): starting
00:23:40 (30328): 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
00:23:41 (30328): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:23:41 (30328): 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\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 'C:\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
03:42:13 (30328): C:/Windows/system32/cmd.exe exited; CPU time 12028.000000
03:42:13 (30328): 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: 228832607 bytes.
Dumping objects ->
{3835207} normal block at 0x000002B2E26DC6B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000002B2E26DC020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000002B2E26DC790, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x000002B2E26DBDF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000002B2E26DBC30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x000002B2E4448760, 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) : {3835119} normal block at 0x000002B2E26AEEC0, 8 bytes long.
Data: < ´â² > 00 00 B4 E2 B2 02 00 00
{3833961} normal block at 0x000002B2E26AF370, 8 bytes long.
Data: < dJä² > 90 64 4A E4 B2 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B2E26A4180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002B2E26ACAA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002B2E26B9610, 16 bytes long.
Data: <ø kâ² > F8 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B2E26B8FD0, 16 bytes long.
Data: <Ð kâ² > D0 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B2E26B4710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002B2E26B91B0, 16 bytes long.
Data: <¨ kâ² > A8 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B2E26B8C10, 16 bytes long.
Data: < kâ² > 80 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B2E26B9520, 16 bytes long.
Data: <X kâ² > 58 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B2E26B8A30, 16 bytes long.
Data: <0 kâ² > 30 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B2E26B2640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002B2E26B8CB0, 16 bytes long.
Data: < %jâ² > 88 25 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B2E26B3E10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002B2E26B8D50, 16 bytes long.
Data: <`%jâ² > 60 25 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B2E26B9160, 16 bytes long.
Data: <8%jâ² > 38 25 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B2E26B8F80, 16 bytes long.
Data: < %jâ² > 10 25 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B2E26B94D0, 16 bytes long.
Data: <è$jâ² > E8 24 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B2E26B8E90, 16 bytes long.
Data: <À$jâ² > C0 24 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B2E26B9480, 16 bytes long.
Data: < $jâ² > 98 24 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B2E26B45F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002B2E26B89E0, 16 bytes long.
Data: <p$jâ² > 70 24 6A E2 B2 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B2E26A2470, 320 bytes long.
Data: <à‰kâ² ðEkâ² > E0 89 6B E2 B2 02 00 00 F0 45 6B E2 B2 02 00 00
{276} normal block at 0x000002B2E26B9430, 16 bytes long.
Data: < kâ² > 10 99 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B2E26B8E40, 16 bytes long.
Data: <è kâ² > E8 98 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B2E26B46B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002B2E26B9110, 16 bytes long.
Data: <À kâ² > C0 98 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B2E26B4110, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002B2E26B92F0, 16 bytes long.
Data: < kâ² > 08 98 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B2E26B90C0, 16 bytes long.
Data: <à—kâ² > E0 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B2E26B93E0, 16 bytes long.
Data: <¸—kâ² > B8 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B2E26B9020, 16 bytes long.
Data: < —kâ² > 90 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B2E26B8F30, 16 bytes long.
Data: <h—kâ² > 68 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B2E26B8940, 16 bytes long.
Data: <@—kâ² > 40 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B2E26B9250, 16 bytes long.
Data: <0*kâ² > 30 2A 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B2E26B2A30, 40 bytes long.
Data: <P’kâ² `‡Dä² > 50 92 6B E2 B2 02 00 00 60 87 44 E4 B2 02 00 00
{262} normal block at 0x000002B2E26B9070, 16 bytes long.
Data: < —kâ² > 20 97 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B2E26B95C0, 16 bytes long.
Data: <ø–kâ² > F8 96 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B2E26B3DB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002B2E26B8D00, 16 bytes long.
Data: <ЖkⲠ> D0 96 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B2E26B96D0, 992 bytes long.
Data: < kâ² °=kâ² > 00 8D 6B E2 B2 02 00 00 B0 3D 6B E2 B2 02 00 00
{94} normal block at 0x000002B2E26B4650, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002B2E26AE600, 16 bytes long.
Data: <P)kâ² > 50 29 6B E2 B2 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002B2E26B2950, 40 bytes long.
Data: < æjâ² PFkâ² > 00 E6 6A E2 B2 02 00 00 50 46 6B E2 B2 02 00 00
{71} normal block at 0x000002B2E26AF0F0, 16 bytes long.
Data: < ê ö > 80 EA 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B2E26AEE20, 16 bytes long.
Data: <@é ö > 40 E9 90 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B2E26AF1E0, 16 bytes long.
Data: <øW ö > F8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B2E26AED80, 16 bytes long.
Data: <ØW ö > D8 57 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B2E26AF230, 16 bytes long.
Data: <P ö > 50 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B2E26AF0A0, 16 bytes long.
Data: <0 ö > 30 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B2E26AE790, 16 bytes long.
Data: <à ö > E0 02 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B2E26AF2D0, 16 bytes long.
Data: < ö > 10 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B2E26AECE0, 16 bytes long.
Data: <p ö > 70 04 8D 1D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B2E26AF050, 16 bytes long.
Data: < À‹ ö > 18 C0 8B 1D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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