Task 38683006
| Name | test_788-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6774_0 |
| Workunit | 31624591 |
| Created | 27 Oct 2026, 10:02:44 UTC |
| Sent | 27 Oct 2026, 10:02:48 UTC |
| Report deadline | 1 Nov 2026, 10:02:48 UTC |
| Received | 27 Oct 2026, 10:45:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648521 |
| Run time | 25 min 37 sec |
| CPU time | 23 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,690.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.94 MB |
| Peak swap size | 9.78 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:18:39 (23780): wrapper (7.9.26016): starting
06:18:39 (23780): 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
06:18:40 (23780): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:18:40 (23780): 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
06:43:19 (23780): C:/Windows/system32/cmd.exe exited; CPU time 1397.328125
06:43:19 (23780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 22707933 bytes.
Dumping objects ->
{3835280} normal block at 0x0000017CC8E34A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x0000017CC8E349A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x0000017CC8E34930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x0000017CC8E34A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000017CC8E347E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x0000017CCAB459B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x0000017CC8E8D8B0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835191} normal block at 0x0000017CC8E2E4A0, 8 bytes long.
Data: < 0É| > 00 00 30 C9 7C 01 00 00
{3834567} normal block at 0x0000017CC8E8DA50, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000017CC8E2E810, 8 bytes long.
Data: < ëðÈ| > 80 EB F0 C8 7C 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000017CC8E31000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017CC8E1F1D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000017CC8E355E0, 16 bytes long.
Data: <hRãÈ| > 68 52 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017CC8E36170, 16 bytes long.
Data: <@RãÈ| > 40 52 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017CC8E2F970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000017CC8E35A90, 16 bytes long.
Data: < RãÈ| > 18 52 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017CC8E360D0, 16 bytes long.
Data: <ðQãÈ| > F0 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017CC8E35FE0, 16 bytes long.
Data: <ÈQãÈ| > C8 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017CC8E353B0, 16 bytes long.
Data: < QãÈ| > A0 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017CC8E34460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000017CC8E35D60, 16 bytes long.
Data: <¸´áÈ| > B8 B4 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017CC8E30150, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000017CC8E36120, 16 bytes long.
Data: < ´áÈ| > 90 B4 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017CC8E35F90, 16 bytes long.
Data: <h´áÈ| > 68 B4 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017CC8E35EF0, 16 bytes long.
Data: <@´áÈ| > 40 B4 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017CC8E35590, 16 bytes long.
Data: < ´áÈ| > 18 B4 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017CC8E35540, 16 bytes long.
Data: <ð³áÈ| > F0 B3 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017CC8E36080, 16 bytes long.
Data: <ȳáÈ| > C8 B3 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017CC8E2F8B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000017CC8E35EA0, 16 bytes long.
Data: < ³áÈ| > A0 B3 E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017CC8E1B3A0, 320 bytes long.
Data: < ^ãÈ| °øâÈ| > A0 5E E3 C8 7C 01 00 00 B0 F8 E2 C8 7C 01 00 00
{273} normal block at 0x0000017CC8E35F40, 16 bytes long.
Data: < QãÈ| > 80 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017CC8E36030, 16 bytes long.
Data: <XQãÈ| > 58 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017CC8E300F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000017CC8E35E50, 16 bytes long.
Data: <0QãÈ| > 30 51 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017CC8E2F3D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000017CC8E35400, 16 bytes long.
Data: <xPãÈ| > 78 50 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017CC8E35E00, 16 bytes long.
Data: <PPãÈ| > 50 50 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017CC8E35DB0, 16 bytes long.
Data: <(PãÈ| > 28 50 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017CC8E35CC0, 16 bytes long.
Data: < PãÈ| > 00 50 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017CC8E35D10, 16 bytes long.
Data: <ØOãÈ| > D8 4F E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017CC8E2F170, 16 bytes long.
Data: <°OãÈ| > B0 4F E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017CC8E2E770, 16 bytes long.
Data: <ðCãÈ| > F0 43 E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017CC8E343F0, 40 bytes long.
Data: <pçâÈ| °Y´Ê| > 70 E7 E2 C8 7C 01 00 00 B0 59 B4 CA 7C 01 00 00
{259} normal block at 0x0000017CC8E2EDB0, 16 bytes long.
Data: < OãÈ| > 90 4F E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017CC8E2EFE0, 16 bytes long.
Data: <hOãÈ| > 68 4F E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000017CC8E2F4F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000017CC8E2ED10, 16 bytes long.
Data: <@OãÈ| > 40 4F E3 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000017CC8E34F40, 992 bytes long.
Data: < íâÈ| ðôâÈ| > 10 ED E2 C8 7C 01 00 00 F0 F4 E2 C8 7C 01 00 00
{91} normal block at 0x0000017CC8E2FAF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000017CC8E2EBD0, 16 bytes long.
Data: <PÜáÈ| > 50 DC E1 C8 7C 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000017CC8E1DC50, 40 bytes long.
Data: <ÐëâÈ| ðúâÈ| > D0 EB E2 C8 7C 01 00 00 F0 FA E2 C8 7C 01 00 00
{68} normal block at 0x0000017CC8E2E630, 16 bytes long.
Data: < êH{÷ > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017CC8E2EC20, 16 bytes long.
Data: <@éH{÷ > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017CC8E2E5E0, 16 bytes long.
Data: <øWE{÷ > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017CC8E2F1C0, 16 bytes long.
Data: <ØWE{÷ > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017CC8E2E590, 16 bytes long.
Data: <P E{÷ > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017CC8E2E680, 16 bytes long.
Data: <0 E{÷ > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017CC8E2E3B0, 16 bytes long.
Data: <à E{÷ > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000017CC8E2EB80, 16 bytes long.
Data: < E{÷ > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017CC8E2E450, 16 bytes long.
Data: <p E{÷ > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017CC8E2F080, 16 bytes long.
Data: < ÀC{÷ > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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