Task 38684309
| Name | test_464-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5424_0 |
| Workunit | 31625828 |
| Created | 27 Oct 2026, 15:45:35 UTC |
| Sent | 27 Oct 2026, 15:45:36 UTC |
| Report deadline | 1 Nov 2026, 15:45:36 UTC |
| Received | 27 Oct 2026, 18:24:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 2 min 15 sec |
| CPU time | 59 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,168.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.68 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:22:59 (17064): wrapper (7.9.26016): starting
18:22:59 (17064): 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
18:23:01 (17064): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:23:01 (17064): 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\13\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\13\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
19:23:33 (17064): C:/Windows/system32/cmd.exe exited; CPU time 3598.187500
19:23:33 (17064): 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: 73823195 bytes.
Dumping objects ->
{3835893} normal block at 0x00000221EC855BA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835882} normal block at 0x00000221EC855890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835871} normal block at 0x00000221EC855C80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835860} normal block at 0x00000221EC855EB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x00000221EC855E40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835818} normal block at 0x00000221EE493E10, 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) : {3835805} normal block at 0x00000221EC84E8F0, 8 bytes long.
Data: < Âì! > 00 00 C2 EC 21 02 00 00
{3833957} normal block at 0x00000221EC84E990, 8 bytes long.
Data: <À ‡ì! > C0 99 87 EC 21 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000221EC850690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000221EC8457F0, 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 0x00000221EC854A30, 16 bytes long.
Data: <ØV…ì! > D8 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000221EC8549E0, 16 bytes long.
Data: <°V…ì! > B0 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000221EC84FE20, 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 0x00000221EC854850, 16 bytes long.
Data: < V…ì! > 88 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000221EC854670, 16 bytes long.
Data: <`V…ì! > 60 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000221EC8545D0, 16 bytes long.
Data: <8V…ì! > 38 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000221EC854530, 16 bytes long.
Data: < V…ì! > 10 56 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000221EC8559E0, 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 0x00000221EC854490, 16 bytes long.
Data: < óƒì! > 18 F3 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000221EC84F7C0, 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 0x00000221EC8543F0, 16 bytes long.
Data: <ðòƒì! > F0 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000221EC855340, 16 bytes long.
Data: <Èòƒì! > C8 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000221EC8548A0, 16 bytes long.
Data: <ʘē! > A0 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000221EC854DF0, 16 bytes long.
Data: <xòƒì! > 78 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000221EC854B20, 16 bytes long.
Data: <Pòƒì! > 50 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000221EC8548F0, 16 bytes long.
Data: <(òƒì! > 28 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000221EC84F700, 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 0x00000221EC8552F0, 16 bytes long.
Data: < òƒì! > 00 F2 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000221EC83F200, 320 bytes long.
Data: <ðR…ì! ÷„ì! > F0 52 85 EC 21 02 00 00 00 F7 84 EC 21 02 00 00
{274} normal block at 0x00000221EC854580, 16 bytes long.
Data: <ðU…ì! > F0 55 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000221EC854D50, 16 bytes long.
Data: <ÈU…ì! > C8 55 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000221EC84F1C0, 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 0x00000221EC854440, 16 bytes long.
Data: < U…ì! > A0 55 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000221EC84F760, 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 0x00000221EC8544E0, 16 bytes long.
Data: <èT…ì! > E8 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000221EC854AD0, 16 bytes long.
Data: <ÀT…ì! > C0 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000221EC854800, 16 bytes long.
Data: < T…ì! > 98 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000221EC8552A0, 16 bytes long.
Data: <pT…ì! > 70 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000221EC854DA0, 16 bytes long.
Data: <HT…ì! > 48 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000221EC854F80, 16 bytes long.
Data: < T…ì! > 20 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000221EC854620, 16 bytes long.
Data: <@åƒì! > 40 E5 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000221EC83E540, 40 bytes long.
Data: < F…ì! >Iî! > 20 46 85 EC 21 02 00 00 10 3E 49 EE 21 02 00 00
{260} normal block at 0x00000221EC854990, 16 bytes long.
Data: < T…ì! > 00 54 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000221EC854CB0, 16 bytes long.
Data: <ØS…ì! > D8 53 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000221EC84F520, 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 0x00000221EC854F30, 16 bytes long.
Data: <°S…ì! > B0 53 85 EC 21 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000221EC8553B0, 992 bytes long.
Data: <0O…ì! õ„ì! > 30 4F 85 EC 21 02 00 00 20 F5 84 EC 21 02 00 00
{92} normal block at 0x00000221EC84F5E0, 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 0x00000221EC84EBC0, 16 bytes long.
Data: <ð܃ì! > F0 DC 83 EC 21 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000221EC83DCF0, 40 bytes long.
Data: <Àë„ì! àõ„ì! > C0 EB 84 EC 21 02 00 00 E0 F5 84 EC 21 02 00 00
{69} normal block at 0x00000221EC84EB20, 16 bytes long.
Data: < êûý÷ > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000221EC84E760, 16 bytes long.
Data: <@éûý÷ > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000221EC84E170, 16 bytes long.
Data: <øWøý÷ > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000221EC84E8A0, 16 bytes long.
Data: <ØWøý÷ > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000221EC84E490, 16 bytes long.
Data: <P øý÷ > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000221EC84E3A0, 16 bytes long.
Data: <0 øý÷ > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000221EC84E710, 16 bytes long.
Data: <à øý÷ > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000221EC84E350, 16 bytes long.
Data: < øý÷ > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000221EC84EC10, 16 bytes long.
Data: <p øý÷ > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000221EC84EC60, 16 bytes long.
Data: < Àöý÷ > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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