Task 38681533
| Name | test_637-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0567_0 |
| Workunit | 31623195 |
| Created | 27 Oct 2026, 4:22:20 UTC |
| Sent | 27 Oct 2026, 4:22:23 UTC |
| Report deadline | 1 Nov 2026, 4:22:23 UTC |
| Received | 27 Oct 2026, 6:57:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607118 |
| Run time | 54 min 43 sec |
| CPU time | 42 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 640.06 MB |
| Peak swap size | 9.73 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:49:30 (5776): wrapper (7.9.26016): starting
07:49:30 (5776): 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
07:49:35 (5776): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:49:35 (5776): 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\23\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\23\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
08:41:45 (5776): C:/Windows/system32/cmd.exe exited; CPU time 2561.640625
08:41:46 (5776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 36736715 bytes.
Dumping objects ->
{3835241} normal block at 0x000001CCAB5FABB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001CCAB5F9FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001CCAB5FA910, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x000001CCAB5FA670, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001CCA983D1A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x000001CCAB59CB90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x000001CCAB686E00, 180 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) : {3835151} normal block at 0x000001CCA98380F0, 8 bytes long.
Data: < z©Ì > 00 00 7A A9 CC 01 00 00
{3834544} normal block at 0x000001CCAB686770, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x000001CCA9837F60, 8 bytes long.
Data: <0—c«Ì > 30 97 63 AB CC 01 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001CCA9841660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CCA982D660, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x000001CCA9842BF0, 16 bytes long.
Data: <hK„©Ì > 68 4B 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CCA9842BA0, 16 bytes long.
Data: <@K„©Ì > 40 4B 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CCA983E090, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x000001CCA98425B0, 16 bytes long.
Data: < K„©Ì > 18 4B 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CCA9842560, 16 bytes long.
Data: <ðJ„©Ì > F0 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CCA98433C0, 16 bytes long.
Data: <ÈJ„©Ì > C8 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CCA9842A10, 16 bytes long.
Data: < J„©Ì > A0 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CCA983CB10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x000001CCA9843370, 16 bytes long.
Data: <ÈZ‚©Ì > C8 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CCA983E810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x000001CCA9843320, 16 bytes long.
Data: < Z‚©Ì > A0 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CCA9842790, 16 bytes long.
Data: <xZ‚©Ì > 78 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CCA9842C90, 16 bytes long.
Data: <PZ‚©Ì > 50 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CCA9842470, 16 bytes long.
Data: <(Z‚©Ì > 28 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CCA9842DD0, 16 bytes long.
Data: < Z‚©Ì > 00 5A 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CCA98429C0, 16 bytes long.
Data: <ØY‚©Ì > D8 59 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CCA983E1B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x000001CCA9842970, 16 bytes long.
Data: <°Y‚©Ì > B0 59 82 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CCA98259B0, 320 bytes long.
Data: <p)„©Ì °áƒ©Ì > 70 29 84 A9 CC 01 00 00 B0 E1 83 A9 CC 01 00 00
{266} normal block at 0x000001CCA9842AB0, 16 bytes long.
Data: <€J„©Ì > 80 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CCA98426F0, 16 bytes long.
Data: <XJ„©Ì > 58 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CCA983EAB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x000001CCA98426A0, 16 bytes long.
Data: <0J„©Ì > 30 4A 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CCA983E930, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x000001CCA9842650, 16 bytes long.
Data: <xI„©Ì > 78 49 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CCA9842D30, 16 bytes long.
Data: <PI„©Ì > 50 49 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CCA9842F60, 16 bytes long.
Data: <(I„©Ì > 28 49 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CCA9842FB0, 16 bytes long.
Data: < I„©Ì > 00 49 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CCA9842740, 16 bytes long.
Data: <ØH„©Ì > D8 48 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CCA9842510, 16 bytes long.
Data: <°H„©Ì > B0 48 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CCA9843280, 16 bytes long.
Data: < Òƒ©Ì > 10 D2 83 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001CCA983D210, 40 bytes long.
Data: <€2„©Ì ËY«Ì > 80 32 84 A9 CC 01 00 00 90 CB 59 AB CC 01 00 00
{252} normal block at 0x000001CCA98430F0, 16 bytes long.
Data: <H„©Ì > 90 48 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001CCA98428D0, 16 bytes long.
Data: <hH„©Ì > 68 48 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001CCA983E390, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x000001CCA9842A60, 16 bytes long.
Data: <@H„©Ì > 40 48 84 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x000001CCA9844840, 992 bytes long.
Data: <`*„©Ì ãƒ©Ì > 60 2A 84 A9 CC 01 00 00 90 E3 83 A9 CC 01 00 00
{84} normal block at 0x000001CCA983E690, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x000001CCA9838A50, 16 bytes long.
Data: <ð˃©Ì > F0 CB 83 A9 CC 01 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001CCA983CBF0, 40 bytes long.
Data: <PŠƒ©Ì æƒ©Ì > 50 8A 83 A9 CC 01 00 00 90 E6 83 A9 CC 01 00 00
{61} normal block at 0x000001CCA98383C0, 16 bytes long.
Data: <€ê ö > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CCA9837EC0, 16 bytes long.
Data: <@é ö > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CCA9837DD0, 16 bytes long.
Data: <øW ö > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CCA9838C30, 16 bytes long.
Data: <ØW ö > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001CCA9838AF0, 16 bytes long.
Data: <P ö > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001CCA9838230, 16 bytes long.
Data: <0 ö > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001CCA9837D80, 16 bytes long.
Data: <à ö > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001CCA9838BE0, 16 bytes long.
Data: < ö > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001CCA98385F0, 16 bytes long.
Data: <p ö > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001CCA9838B90, 16 bytes long.
Data: < À ö > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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