Task 38666577
| Name | test_222-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9974_1 |
| Workunit | 31609405 |
| Created | 25 Oct 2026, 3:54:13 UTC |
| Sent | 25 Oct 2026, 4:11:09 UTC |
| Report deadline | 30 Oct 2026, 4:11:09 UTC |
| Received | 25 Oct 2026, 12:08:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627263 |
| Run time | 44 min 55 sec |
| CPU time | 31 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.05 GB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 4.21 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:25:16 (23052): wrapper (7.9.26016): starting
07:25:16 (23052): 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
07:25:17 (23052): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:25:17 (23052): 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\2\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\2\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
08:07:38 (23052): C:/Windows/system32/cmd.exe exited; CPU time 1889.843750
08:07:38 (23052): 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: 57278729 bytes.
Dumping objects ->
{3835205} normal block at 0x0000023673712150, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x0000023673712380, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x0000023673711970, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835172} normal block at 0x00000236736C51F0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x00000236736C5180, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835130} normal block at 0x000002367543B2B0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x00000236736BE2C0, 8 bytes long.
Data: < ³s6 > 00 00 B3 73 36 02 00 00
{3833959} normal block at 0x00000236736BDCD0, 8 bytes long.
Data: <`åys6 > 60 E5 79 73 36 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000236736C1C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000236736B6510, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000236736C67A0, 16 bytes long.
Data: <h`ls6 > 68 60 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000236736C6750, 16 bytes long.
Data: <@`ls6 > 40 60 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000236736BF9F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000236736C6700, 16 bytes long.
Data: < `ls6 > 18 60 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000236736C6A70, 16 bytes long.
Data: <ð_ls6 > F0 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000236736C66B0, 16 bytes long.
Data: <È_ls6 > C8 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000236736C6610, 16 bytes long.
Data: < _ls6 > A0 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000236736C52D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000236736C6520, 16 bytes long.
Data: <È÷js6 > C8 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000236736BFDB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000236736C6D40, 16 bytes long.
Data: < ÷js6 > A0 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000236736C70B0, 16 bytes long.
Data: <x÷js6 > 78 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000236736C6A20, 16 bytes long.
Data: <P÷js6 > 50 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000236736C6570, 16 bytes long.
Data: <(÷js6 > 28 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000236736C62A0, 16 bytes long.
Data: < ÷js6 > 00 F7 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000236736C6890, 16 bytes long.
Data: <Øöjs6 > D8 F6 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000236736BFC90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000236736C6930, 16 bytes long.
Data: <°öjs6 > B0 F6 6A 73 36 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000236736AF6B0, 320 bytes long.
Data: <0ils6 üks6 > 30 69 6C 73 36 02 00 00 90 FC 6B 73 36 02 00 00
{275} normal block at 0x00000236736C6340, 16 bytes long.
Data: < _ls6 > 80 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000236736C7100, 16 bytes long.
Data: <X_ls6 > 58 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000236736C0110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000236736C6980, 16 bytes long.
Data: <0_ls6 > 30 5F 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000236736BFCF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000236736C69D0, 16 bytes long.
Data: <x^ls6 > 78 5E 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000236736C68E0, 16 bytes long.
Data: <P^ls6 > 50 5E 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000236736C6660, 16 bytes long.
Data: <(^ls6 > 28 5E 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000236736C6390, 16 bytes long.
Data: < ^ls6 > 00 5E 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000236736C65C0, 16 bytes long.
Data: <Ø]ls6 > D8 5D 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000236736BD960, 16 bytes long.
Data: <°]ls6 > B0 5D 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000236736BE130, 16 bytes long.
Data: <`Rls6 > 60 52 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000236736C5260, 40 bytes long.
Data: <0áks6 °²Cu6 > 30 E1 6B 73 36 02 00 00 B0 B2 43 75 36 02 00 00
{261} normal block at 0x00000236736BD910, 16 bytes long.
Data: < ]ls6 > 90 5D 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000236736BE400, 16 bytes long.
Data: <h]ls6 > 68 5D 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000236736C00B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000236736BE0E0, 16 bytes long.
Data: <@]ls6 > 40 5D 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000236736C5D40, 992 bytes long.
Data: <ààks6 ° ls6 > E0 E0 6B 73 36 02 00 00 B0 00 6C 73 36 02 00 00
{93} normal block at 0x00000236736C0530, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000236736BE040, 16 bytes long.
Data: <@Sls6 > 40 53 6C 73 36 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000236736C5340, 40 bytes long.
Data: <@àks6 0 ls6 > 40 E0 6B 73 36 02 00 00 30 05 6C 73 36 02 00 00
{70} normal block at 0x00000236736BE310, 16 bytes long.
Data: < ê*åö > 80 EA 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000236736BDF00, 16 bytes long.
Data: <@é*åö > 40 E9 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000236736BDE60, 16 bytes long.
Data: <øW'åö > F8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000236736BE680, 16 bytes long.
Data: <ØW'åö > D8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000236736BDB90, 16 bytes long.
Data: <P 'åö > 50 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000236736BDFA0, 16 bytes long.
Data: <0 'åö > 30 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000236736BDB40, 16 bytes long.
Data: <à 'åö > E0 02 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000236736BDD70, 16 bytes long.
Data: < 'åö > 10 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000236736BDEB0, 16 bytes long.
Data: <p 'åö > 70 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000236736BDE10, 16 bytes long.
Data: < À%åö > 18 C0 25 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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