Task 38680691
| Name | test_224-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8802_0 |
| Workunit | 31622399 |
| Created | 27 Oct 2026, 0:52:53 UTC |
| Sent | 27 Oct 2026, 0:53:04 UTC |
| Report deadline | 1 Nov 2026, 0:53:04 UTC |
| Received | 27 Oct 2026, 2:14:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647178 |
| Run time | 24 min 3 sec |
| CPU time | 22 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,826.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.72 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:57:48 (124888): wrapper (7.9.26016): starting
00:57:48 (124888): 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
00:57:49 (124888): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:57:49 (124888): 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\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 'C:\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
01:21:23 (124888): C:/Windows/system32/cmd.exe exited; CPU time 1342.718750
01:21:23 (124888): 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: 89566015 bytes.
Dumping objects ->
{3835703} normal block at 0x000001F3C161D4B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835692} normal block at 0x000001F3C161D440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835681} normal block at 0x000001F3C161DEC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835670} normal block at 0x000001F3C161DAD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835659} normal block at 0x000001F3C161D910, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835628} normal block at 0x000001F3C3380CD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835617} normal block at 0x000001F3C3493950, 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) : {3835614} normal block at 0x000001F3C15E7730, 8 bytes long.
Data: < ±Áó > 00 00 B1 C1 F3 01 00 00
{3834807} normal block at 0x000001F3C3493740, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834049} normal block at 0x000001F3C15E75F0, 8 bytes long.
Data: <`gMÃó > 60 67 4D C3 F3 01 00 00
..\zip\boinc_zip.cpp(122) : {356} normal block at 0x000001F3C15F4690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{341} normal block at 0x000001F3C15EB5F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{340} normal block at 0x000001F3C15FAAA0, 16 bytes long.
Data: <¸°_Áó > B8 B0 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{339} normal block at 0x000001F3C15FAA50, 16 bytes long.
Data: < °_Áó > 90 B0 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{338} normal block at 0x000001F3C15F1E00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{337} normal block at 0x000001F3C15FAA00, 16 bytes long.
Data: <h°_Áó > 68 B0 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{336} normal block at 0x000001F3C15FA9B0, 16 bytes long.
Data: <@°_Áó > 40 B0 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{335} normal block at 0x000001F3C15FAC80, 16 bytes long.
Data: < °_Áó > 18 B0 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{334} normal block at 0x000001F3C15FA7D0, 16 bytes long.
Data: <ð¯_Áó > F0 AF 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{333} normal block at 0x000001F3C15F7A10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{332} normal block at 0x000001F3C15FA550, 16 bytes long.
Data: <(q_Áó > 28 71 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{331} normal block at 0x000001F3C15F2100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{330} normal block at 0x000001F3C15FA190, 16 bytes long.
Data: < q_Áó > 00 71 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{328} normal block at 0x000001F3C15F9F60, 16 bytes long.
Data: <Øp_Áó > D8 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{327} normal block at 0x000001F3C15FA140, 16 bytes long.
Data: <°p_Áó > B0 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{326} normal block at 0x000001F3C15FA5F0, 16 bytes long.
Data: < p_Áó > 88 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{325} normal block at 0x000001F3C15FA0A0, 16 bytes long.
Data: <`p_Áó > 60 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{324} normal block at 0x000001F3C15FA960, 16 bytes long.
Data: <8p_Áó > 38 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{323} normal block at 0x000001F3C15F1500, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{322} normal block at 0x000001F3C15FA280, 16 bytes long.
Data: < p_Áó > 10 70 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{321} normal block at 0x000001F3C15F7010, 320 bytes long.
Data: < ¢_Áó _Áó > 80 A2 5F C1 F3 01 00 00 00 15 5F C1 F3 01 00 00
{320} normal block at 0x000001F3C15FAB40, 16 bytes long.
Data: <Я_Áó > D0 AF 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{319} normal block at 0x000001F3C15FAAF0, 16 bytes long.
Data: <¨¯_Áó > A8 AF 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{318} normal block at 0x000001F3C15F1920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{317} normal block at 0x000001F3C15F9EC0, 16 bytes long.
Data: < ¯_Áó > 80 AF 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{316} normal block at 0x000001F3C15F20A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{315} normal block at 0x000001F3C15FA730, 16 bytes long.
Data: <È®_Áó > C8 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x000001F3C15FA2D0, 16 bytes long.
Data: < ®_Áó > A0 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x000001F3C15FA910, 16 bytes long.
Data: <x®_Áó > 78 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x000001F3C15FA6E0, 16 bytes long.
Data: <P®_Áó > 50 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000001F3C15FA500, 16 bytes long.
Data: <(®_Áó > 28 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x000001F3C15FA3C0, 16 bytes long.
Data: < ®_Áó > 00 AE 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001F3C15FA690, 16 bytes long.
Data: <@|_Áó > 40 7C 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001F3C15F7C40, 40 bytes long.
Data: < ¦_Áó Ð 8Ãó > 90 A6 5F C1 F3 01 00 00 D0 0C 38 C3 F3 01 00 00
{306} normal block at 0x000001F3C15FA0F0, 16 bytes long.
Data: <à­_Áó > E0 AD 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001F3C15FA000, 16 bytes long.
Data: <¸­_Áó > B8 AD 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001F3C15F1B60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{303} normal block at 0x000001F3C15FA4B0, 16 bytes long.
Data: < ­_Áó > 90 AD 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001F3C15FAD90, 992 bytes long.
Data: <°¤_Áó ` _Áó > B0 A4 5F C1 F3 01 00 00 60 1B 5F C1 F3 01 00 00
{138} normal block at 0x000001F3C15F1FE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{137} normal block at 0x000001F3C15E8220, 16 bytes long.
Data: < y_Áó > A0 79 5F C1 F3 01 00 00 00 00 00 00 00 00 00 00
{136} normal block at 0x000001F3C15F79A0, 40 bytes long.
Data: < ‚^Áó à _Áó > 20 82 5E C1 F3 01 00 00 E0 1F 5F C1 F3 01 00 00
{115} normal block at 0x000001F3C15E8040, 16 bytes long.
Data: < êR ö > 80 EA 52 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{114} normal block at 0x000001F3C15E8270, 16 bytes long.
Data: <@éR ö > 40 E9 52 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{113} normal block at 0x000001F3C15E7F00, 16 bytes long.
Data: <øWO ö > F8 57 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{112} normal block at 0x000001F3C15E7EB0, 16 bytes long.
Data: <ØWO ö > D8 57 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{111} normal block at 0x000001F3C15E78C0, 16 bytes long.
Data: <P O ö > 50 04 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{110} normal block at 0x000001F3C15E8180, 16 bytes long.
Data: <0 O ö > 30 04 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x000001F3C15E7C80, 16 bytes long.
Data: <à O ö > E0 02 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{108} normal block at 0x000001F3C15E80E0, 16 bytes long.
Data: < O ö > 10 04 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x000001F3C15E7780, 16 bytes long.
Data: <p O ö > 70 04 4F 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001F3C15E76E0, 16 bytes long.
Data: < ÀM ö > 18 C0 4D 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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