Task 38688007
| Name | test_597-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5344_0 |
| Workunit | 31629377 |
| Created | 28 Oct 2026, 11:03:01 UTC |
| Sent | 28 Oct 2026, 11:03:11 UTC |
| Report deadline | 2 Nov 2026, 11:03:11 UTC |
| Received | 28 Oct 2026, 11:40:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654838 |
| Run time | 15 min 22 sec |
| CPU time | 14 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.26 MB |
| Peak swap size | 13.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:24:54 (26000): wrapper (7.9.26016): starting
07:24:54 (26000): 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
07:24:55 (26000): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:24:55 (26000): 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\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 'C:\ProgramData\BOINC\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
07:39:38 (26000): C:/Windows/system32/cmd.exe exited; CPU time 878.968750
07:39:38 (26000): 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: 21427267 bytes.
Dumping objects ->
{3835501} normal block at 0x000001F8E6CA1FE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000001F8E6CA22F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x000001F8E6CA21A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835468} normal block at 0x000001F8E6CA1F70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x000001F8E6CA1E90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835426} normal block at 0x000001F8E892A2E0, 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) : {3835413} normal block at 0x000001F8E6C9BD00, 8 bytes long.
Data: < Áæø > 00 00 C1 E6 F8 01 00 00
{3833939} normal block at 0x000001F8E6C9BCB0, 8 bytes long.
Data: <ð‚œèø > F0 82 9C E8 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001F8E6C9D5D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F8E6C94D60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x000001F8E6CA3D10, 16 bytes long.
Data: <h-Êæø > 68 2D CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F8E6CA3CC0, 16 bytes long.
Data: <@-Êæø > 40 2D CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8E6CA1330, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x000001F8E6CA2F50, 16 bytes long.
Data: < -Êæø > 18 2D CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8E6CA3860, 16 bytes long.
Data: <ð,Êæø > F0 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F8E6CA3130, 16 bytes long.
Data: <È,Êæø > C8 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F8E6CA3BD0, 16 bytes long.
Data: < ,Êæø > A0 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F8E6CA23D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x000001F8E6CA3720, 16 bytes long.
Data: <h Êæø > 68 1B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F8E6CA1450, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x000001F8E6CA3E00, 16 bytes long.
Data: <@ Êæø > 40 1B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F8E6CA3C70, 16 bytes long.
Data: < Êæø > 18 1B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8E6CA3C20, 16 bytes long.
Data: <ð Êæø > F0 1A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F8E6CA3810, 16 bytes long.
Data: <È Êæø > C8 1A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F8E6CA32C0, 16 bytes long.
Data: <  Êæø > A0 1A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F8E6CA36D0, 16 bytes long.
Data: <x Êæø > 78 1A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8E6CA1150, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x000001F8E6CA3DB0, 16 bytes long.
Data: <P Êæø > 50 1A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F8E6CA1A50, 320 bytes long.
Data: <°=Êæø P Êæø > B0 3D CA E6 F8 01 00 00 50 11 CA E6 F8 01 00 00
{265} normal block at 0x000001F8E6CA39A0, 16 bytes long.
Data: < ,Êæø > 80 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F8E6CA37C0, 16 bytes long.
Data: <X,Êæø > 58 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F8E6CA13F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x000001F8E6CA3270, 16 bytes long.
Data: <0,Êæø > 30 2C CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F8E6CA0A90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x000001F8E6CA3A90, 16 bytes long.
Data: <x+Êæø > 78 2B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F8E6CA3180, 16 bytes long.
Data: <P+Êæø > 50 2B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F8E6CA35E0, 16 bytes long.
Data: <(+Êæø > 28 2B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F8E6CA3950, 16 bytes long.
Data: < +Êæø > 00 2B CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F8E6C9BC10, 16 bytes long.
Data: <Ø*Êæø > D8 2A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F8E6C9BB70, 16 bytes long.
Data: <°*Êæø > B0 2A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F8E6C9BB20, 16 bytes long.
Data: < Êæø > 20 1E CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F8E6CA1E20, 40 bytes long.
Data: < »Éæø ࢒èø > 20 BB C9 E6 F8 01 00 00 E0 A2 92 E8 F8 01 00 00
{251} normal block at 0x000001F8E6C9BAD0, 16 bytes long.
Data: < *Êæø > 90 2A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F8E6C9BA80, 16 bytes long.
Data: <h*Êæø > 68 2A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001F8E6CA10F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x000001F8E6C9BE40, 16 bytes long.
Data: <@*Êæø > 40 2A CA E6 F8 01 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x000001F8E6CA2A40, 992 bytes long.
Data: <@¾Éæø ð Êæø > 40 BE C9 E6 F8 01 00 00 F0 10 CA E6 F8 01 00 00
{83} normal block at 0x000001F8E6CA15D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x000001F8E6C9C3E0, 16 bytes long.
Data: <pŠÈæø > 70 8A C8 E6 F8 01 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001F8E6C88A70, 40 bytes long.
Data: <àÃÉæø Ð Êæø > E0 C3 C9 E6 F8 01 00 00 D0 15 CA E6 F8 01 00 00
{60} normal block at 0x000001F8E6C9C110, 16 bytes long.
Data: < ê^S÷ > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F8E6C9C700, 16 bytes long.
Data: <@é^S÷ > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F8E6C9BEE0, 16 bytes long.
Data: <øW[S÷ > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F8E6C9C520, 16 bytes long.
Data: <ØW[S÷ > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F8E6C9BDA0, 16 bytes long.
Data: <P [S÷ > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F8E6C9C070, 16 bytes long.
Data: <0 [S÷ > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F8E6C9C570, 16 bytes long.
Data: <à [S÷ > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001F8E6C9BE90, 16 bytes long.
Data: < [S÷ > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001F8E6C9BFD0, 16 bytes long.
Data: <p [S÷ > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x000001F8E6C9C610, 16 bytes long.
Data: < ÀYS÷ > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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