Task 38695979
| Name | test_964-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7983_0 |
| Workunit | 31636642 |
| Created | 31 Oct 2026, 17:49:47 UTC |
| Sent | 31 Oct 2026, 17:49:55 UTC |
| Report deadline | 5 Nov 2026, 17:49:55 UTC |
| Received | 31 Oct 2026, 18:42:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627499 |
| Run time | 51 min 6 sec |
| CPU time | 47 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,184.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.68 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:52:06 (19620): wrapper (7.9.26016): starting
18:52:06 (19620): 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
18:52:08 (19620): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:52:08 (19620): 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\12\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\12\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
19:41:44 (19620): C:/Windows/system32/cmd.exe exited; CPU time 2859.921875
19:41:44 (19620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 47097339 bytes.
Dumping objects ->
{3835222} normal block at 0x000001F6F4E34AB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001F6F4E348F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x000001F6F4E34880, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835189} normal block at 0x000001F6F4E34810, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835178} normal block at 0x000001F6F4E34500, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835147} normal block at 0x000001F6F6B99400, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835136} normal block at 0x000001F6F6BAE680, 102 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) : {3835133} normal block at 0x000001F6F4E2EA30, 8 bytes long.
Data: < 3õö > 00 00 33 F5 F6 01 00 00
{3834535} normal block at 0x000001F6F6BAEC00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001F6F4E2F110, 8 bytes long.
Data: <07¿öö > 30 37 BF F6 F6 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F6F4E312C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F6F4E26700, 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 0x000001F6F4E358B0, 16 bytes long.
Data: <øeãôö > F8 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F6F4E35BD0, 16 bytes long.
Data: <Ðeãôö > D0 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F6F4E303F0, 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 0x000001F6F4E36080, 16 bytes long.
Data: <¨eãôö > A8 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F6F4E35A90, 16 bytes long.
Data: < eãôö > 80 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F6F4E35AE0, 16 bytes long.
Data: <Xeãôö > 58 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F6F4E35C70, 16 bytes long.
Data: <0eãôö > 30 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F6F4E34B20, 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 0x000001F6F4E35A40, 16 bytes long.
Data: < ´áôö > 18 B4 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F6F4E2F790, 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 0x000001F6F4E36030, 16 bytes long.
Data: <ð³áôö > F0 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F6F4E359F0, 16 bytes long.
Data: <ȳáôö > C8 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F6F4E35400, 16 bytes long.
Data: < ³áôö > A0 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F6F4E35590, 16 bytes long.
Data: <x³áôö > 78 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F6F4E35D60, 16 bytes long.
Data: <P³áôö > 50 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F6F4E35720, 16 bytes long.
Data: <(³áôö > 28 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F6F4E2FF10, 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 0x000001F6F4E35B30, 16 bytes long.
Data: < ³áôö > 00 B3 E1 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F6F4E1B300, 320 bytes long.
Data: <0[ãôö ÿâôö > 30 5B E3 F4 F6 01 00 00 10 FF E2 F4 F6 01 00 00
{274} normal block at 0x000001F6F4E35B80, 16 bytes long.
Data: < eãôö > 10 65 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F6F4E35810, 16 bytes long.
Data: <èdãôö > E8 64 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F6F4E2F8B0, 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 0x000001F6F4E35770, 16 bytes long.
Data: <Àdãôö > C0 64 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F6F4E30270, 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 0x000001F6F4E35630, 16 bytes long.
Data: < dãôö > 08 64 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F6F4E36120, 16 bytes long.
Data: <àcãôö > E0 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F6F4E35FE0, 16 bytes long.
Data: <¸cãôö > B8 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F6F4E35860, 16 bytes long.
Data: < cãôö > 90 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F6F4E360D0, 16 bytes long.
Data: <hcãôö > 68 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F6F4E359A0, 16 bytes long.
Data: <@cãôö > 40 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F6F4E357C0, 16 bytes long.
Data: <pEãôö > 70 45 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F6F4E34570, 40 bytes long.
Data: <ÀWãôö ”¹öö > C0 57 E3 F4 F6 01 00 00 00 94 B9 F6 F6 01 00 00
{260} normal block at 0x000001F6F4E356D0, 16 bytes long.
Data: < cãôö > 20 63 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F6F4E35EF0, 16 bytes long.
Data: <øbãôö > F8 62 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F6F4E2F7F0, 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 0x000001F6F4E354A0, 16 bytes long.
Data: <Ðbãôö > D0 62 E3 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F6F4E362D0, 992 bytes long.
Data: < Tãôö ð÷âôö > A0 54 E3 F4 F6 01 00 00 F0 F7 E2 F4 F6 01 00 00
{92} normal block at 0x000001F6F4E30090, 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 0x000001F6F4E2E670, 16 bytes long.
Data: < äâôö > 00 E4 E2 F4 F6 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F6F4E2E400, 40 bytes long.
Data: <pæâôö ãôö > 70 E6 E2 F4 F6 01 00 00 90 00 E3 F4 F6 01 00 00
{69} normal block at 0x000001F6F4E2EDA0, 16 bytes long.
Data: < êî¯ö > 80 EA EE AF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F6F4E2E9E0, 16 bytes long.
Data: <@éî¯ö > 40 E9 EE AF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F6F4E2E990, 16 bytes long.
Data: <øWë¯ö > F8 57 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F6F4E2EC10, 16 bytes long.
Data: <ØWë¯ö > D8 57 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F6F4E2EEE0, 16 bytes long.
Data: <P ë¯ö > 50 04 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F6F4E2E940, 16 bytes long.
Data: <0 ë¯ö > 30 04 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F6F4E2E8F0, 16 bytes long.
Data: <à ë¯ö > E0 02 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F6F4E2E8A0, 16 bytes long.
Data: < ë¯ö > 10 04 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F6F4E2E850, 16 bytes long.
Data: <p ë¯ö > 70 04 EB AF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F6F4E2F020, 16 bytes long.
Data: < Àé¯ö > 18 C0 E9 AF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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