Task 38647082
| Name | test_321-GPUGRID_TEST_ATM_500_20261023-0-1-RND9917_1 |
| Workunit | 31590658 |
| Created | 23 Oct 2026, 18:49:33 UTC |
| Sent | 23 Oct 2026, 18:49:34 UTC |
| Report deadline | 28 Oct 2026, 18:49:34 UTC |
| Received | 23 Oct 2026, 19:40:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644456 |
| Run time | 46 min 32 sec |
| CPU time | 45 min 54 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.63 MB |
| Peak swap size | 3.09 GB |
| Peak disk usage | 3.33 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
20:51:48 (13660): wrapper (7.9.26016): starting
20:51:48 (13660): 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
20:51:49 (13660): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:51:49 (13660): 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
21:39:39 (13660): C:/Windows/system32/cmd.exe exited; CPU time 2754.625000
21:39:39 (13660): 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: 49740835 bytes.
Dumping objects ->
{3835427} normal block at 0x0000011B73A587E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835416} normal block at 0x0000011B73A58700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x0000011B73A58690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835394} normal block at 0x0000011B73A58620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835383} normal block at 0x0000011B73A584D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835352} normal block at 0x0000011B7567D0F0, 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) : {3835339} normal block at 0x0000011B73A4F620, 8 bytes long.
Data: < Ûs > 00 00 DB 73 1B 01 00 00
{3833957} normal block at 0x0000011B73A50070, 8 bytes long.
Data: < ©s > A0 9D A9 73 1B 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000011B73A51C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000011B73A46FD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000011B73A592F0, 16 bytes long.
Data: <x ¥s > 78 A1 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000011B73A59750, 16 bytes long.
Data: <P ¥s > 50 A1 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000011B73A50B00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000011B73A59930, 16 bytes long.
Data: <( ¥s > 28 A1 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000011B73A59980, 16 bytes long.
Data: < ¥s > 00 A1 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000011B73A59C50, 16 bytes long.
Data: <Ø ¥s > D8 A0 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000011B73A58F30, 16 bytes long.
Data: <° ¥s > B0 A0 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000011B73A58A80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000011B73A599D0, 16 bytes long.
Data: <8›¤s > 38 9B A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000011B73A50860, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000011B73A59C00, 16 bytes long.
Data: < ›¤s > 10 9B A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000011B73A59610, 16 bytes long.
Data: <蚤s > E8 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000011B73A595C0, 16 bytes long.
Data: <Àš¤s > C0 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011B73A59700, 16 bytes long.
Data: < š¤s > 98 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000011B73A592A0, 16 bytes long.
Data: <pš¤s > 70 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000011B73A598E0, 16 bytes long.
Data: <Hš¤s > 48 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000011B73A51160, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000011B73A59D90, 16 bytes long.
Data: < š¤s > 20 9A A4 73 1B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000011B73A49A20, 320 bytes long.
Data: < ¥s ` ¥s > 90 9D A5 73 1B 01 00 00 60 11 A5 73 1B 01 00 00
{274} normal block at 0x0000011B73A59110, 16 bytes long.
Data: <  ¥s > 90 A0 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000011B73A59020, 16 bytes long.
Data: <h ¥s > 68 A0 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000011B73A51220, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000011B73A58FD0, 16 bytes long.
Data: <@ ¥s > 40 A0 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000011B73A50B60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000011B73A59A70, 16 bytes long.
Data: < ٴs > 88 9F A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000011B73A59BB0, 16 bytes long.
Data: <`Ÿ¥s > 60 9F A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000011B73A59570, 16 bytes long.
Data: <8Ÿ¥s > 38 9F A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000011B73A591B0, 16 bytes long.
Data: < ٴs > 10 9F A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000011B73A58EE0, 16 bytes long.
Data: <螥s > E8 9E A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000011B73A59D40, 16 bytes long.
Data: <Àž¥s > C0 9E A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000011B73A59660, 16 bytes long.
Data: <p‡¥s > 70 87 A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000011B73A58770, 40 bytes long.
Data: <`–¥s ðÐgu > 60 96 A5 73 1B 01 00 00 F0 D0 67 75 1B 01 00 00
{260} normal block at 0x0000011B73A59250, 16 bytes long.
Data: < ž¥s > A0 9E A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000011B73A596B0, 16 bytes long.
Data: <xž¥s > 78 9E A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000011B73A50AA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000011B73A59840, 16 bytes long.
Data: <Pž¥s > 50 9E A5 73 1B 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000011B73A59E50, 992 bytes long.
Data: <@ ¥s   ¥s > 40 98 A5 73 1B 01 00 00 A0 0A A5 73 1B 01 00 00
{92} normal block at 0x0000011B73A50680, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000011B73A50340, 16 bytes long.
Data: <P´£s > 50 B4 A3 73 1B 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000011B73A3B450, 40 bytes long.
Data: <@ ¥s ¥s > 40 03 A5 73 1B 01 00 00 80 06 A5 73 1B 01 00 00
{69} normal block at 0x0000011B73A4FC10, 16 bytes long.
Data: < ê 'ö > 80 EA 04 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000011B73A4FCB0, 16 bytes long.
Data: <@é 'ö > 40 E9 04 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000011B73A4F9E0, 16 bytes long.
Data: <øW 'ö > F8 57 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000011B73A4FC60, 16 bytes long.
Data: <ØW 'ö > D8 57 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000011B73A502F0, 16 bytes long.
Data: <P 'ö > 50 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000011B73A4FE40, 16 bytes long.
Data: <0 'ö > 30 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000011B73A4F8A0, 16 bytes long.
Data: <à 'ö > E0 02 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000011B73A4FDA0, 16 bytes long.
Data: < 'ö > 10 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000011B73A4F490, 16 bytes long.
Data: <p 'ö > 70 04 01 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000011B73A4F5D0, 16 bytes long.
Data: < À &ö > 18 C0 FF 26 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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