Task 38651585
| Name | test_139-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND1305_1 |
| Workunit | 31595859 |
| Created | 24 Oct 2026, 2:03:37 UTC |
| Sent | 24 Oct 2026, 2:09:32 UTC |
| Report deadline | 29 Oct 2026, 2:09:32 UTC |
| Received | 24 Oct 2026, 3:26:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647196 |
| Run time | 1 hours 14 min 13 sec |
| CPU time | 1 hours 4 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.34 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:16:14 (27800): wrapper (7.9.26016): starting
21:16:14 (27800): 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
21:16:21 (27800): Library/usr/bin/tar.exe exited; CPU time 0.031250
21:16:21 (27800): 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\5\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\5\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
22:25:59 (27800): C:/Windows/system32/cmd.exe exited; CPU time 3840.671875
22:25:59 (27800): 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: 76481671 bytes.
Dumping objects ->
{3835428} normal block at 0x000002F11FC65AA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000002F11FC655D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x000002F11FC65A30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x000002F11FC64DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x000002F11FB93280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x000002F1217A8590, 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) : {3835340} normal block at 0x000002F11FB914D0, 8 bytes long.
Data: < ê ñ > 00 00 EA 1F F1 02 00 00
{3833957} normal block at 0x000002F11FB91520, 8 bytes long.
Data: <py !ñ > 70 79 80 21 F1 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002F11FB85820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002F11FB87500, 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 0x000002F11FB99DB0, 16 bytes long.
Data: < ¡¹ ñ > 98 A1 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002F11FB98EB0, 16 bytes long.
Data: <p¡¹ ñ > 70 A1 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002F11FB94A80, 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 0x000002F11FB99D60, 16 bytes long.
Data: <H¡¹ ñ > 48 A1 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002F11FB996D0, 16 bytes long.
Data: < ¡¹ ñ > 20 A1 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002F11FB99900, 16 bytes long.
Data: <ø ¹ ñ > F8 A0 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002F11FB992C0, 16 bytes long.
Data: <Р¹ ñ > D0 A0 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002F11FB93440, 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 0x000002F11FB99630, 16 bytes long.
Data: <XJ¸ ñ > 58 4A B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002F11FB94C60, 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 0x000002F11FB99AE0, 16 bytes long.
Data: <0J¸ ñ > 30 4A B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002F11FB99860, 16 bytes long.
Data: < J¸ ñ > 08 4A B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002F11FB99220, 16 bytes long.
Data: <àI¸ ñ > E0 49 B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002F11FB99680, 16 bytes long.
Data: <¸I¸ ñ > B8 49 B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002F11FB99130, 16 bytes long.
Data: < I¸ ñ > 90 49 B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002F11FB99810, 16 bytes long.
Data: <hI¸ ñ > 68 49 B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002F11FB944E0, 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 0x000002F11FB99BD0, 16 bytes long.
Data: <@I¸ ñ > 40 49 B8 1F F1 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002F11FB84940, 320 bytes long.
Data: <Л¹ ñ àD¹ ñ > D0 9B B9 1F F1 02 00 00 E0 44 B9 1F F1 02 00 00
{274} normal block at 0x000002F11FB99540, 16 bytes long.
Data: <° ¹ ñ > B0 A0 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002F11FB99950, 16 bytes long.
Data: <  ¹ ñ > 88 A0 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002F11FB94A20, 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 0x000002F11FB99A90, 16 bytes long.
Data: <` ¹ ñ > 60 A0 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002F11FB94720, 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 0x000002F11FB993B0, 16 bytes long.
Data: <¨Ÿ¹ ñ > A8 9F B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002F11FB99720, 16 bytes long.
Data: < Ÿ¹ ñ > 80 9F B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002F11FB99590, 16 bytes long.
Data: <XŸ¹ ñ > 58 9F B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002F11FB99310, 16 bytes long.
Data: <0Ÿ¹ ñ > 30 9F B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002F11FB99B30, 16 bytes long.
Data: < Ÿ¹ ñ > 08 9F B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002F11FB99E00, 16 bytes long.
Data: <àž¹ ñ > E0 9E B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002F11FB994F0, 16 bytes long.
Data: <À0¹ ñ > C0 30 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002F11FB930C0, 40 bytes long.
Data: <𔹠ñ …z!ñ > F0 94 B9 1F F1 02 00 00 90 85 7A 21 F1 02 00 00
{260} normal block at 0x000002F11FB998B0, 16 bytes long.
Data: <Àž¹ ñ > C0 9E B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002F11FB99090, 16 bytes long.
Data: < ž¹ ñ > 98 9E B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002F11FB94BA0, 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 0x000002F11FB99C20, 16 bytes long.
Data: <pž¹ ñ > 70 9E B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002F11FB99E70, 992 bytes long.
Data: < œ¹ ñ  K¹ ñ > 20 9C B9 1F F1 02 00 00 A0 4B B9 1F F1 02 00 00
{92} normal block at 0x000002F11FB94540, 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 0x000002F11FB90E40, 16 bytes long.
Data: <Ð3¹ ñ > D0 33 B9 1F F1 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002F11FB933D0, 40 bytes long.
Data: <@ ¹ ñ @E¹ ñ > 40 0E B9 1F F1 02 00 00 40 45 B9 1F F1 02 00 00
{69} normal block at 0x000002F11FB91CA0, 16 bytes long.
Data: < ê½Åö > 80 EA BD C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002F11FB91BB0, 16 bytes long.
Data: <@é½Åö > 40 E9 BD C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002F11FB91B10, 16 bytes long.
Data: <øWºÅö > F8 57 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002F11FB91A70, 16 bytes long.
Data: <ØWºÅö > D8 57 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002F11FB91980, 16 bytes long.
Data: <P ºÅö > 50 04 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002F11FB91930, 16 bytes long.
Data: <0 ºÅö > 30 04 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002F11FB91A20, 16 bytes long.
Data: <à ºÅö > E0 02 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002F11FB91AC0, 16 bytes long.
Data: < ºÅö > 10 04 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002F11FB91C50, 16 bytes long.
Data: <p ºÅö > 70 04 BA C5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002F11FB918E0, 16 bytes long.
Data: < À¸Åö > 18 C0 B8 C5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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