Task 38686765
| Name | test_731-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6957_0 |
| Workunit | 31628184 |
| Created | 28 Oct 2026, 4:17:17 UTC |
| Sent | 28 Oct 2026, 4:17:21 UTC |
| Report deadline | 2 Nov 2026, 4:17:21 UTC |
| Received | 28 Oct 2026, 7:47:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 44 min 51 sec |
| CPU time | 42 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.37 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:04:07 (24216): wrapper (7.9.26016): starting
03:04:07 (24216): 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
03:04:09 (24216): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:04:09 (24216): 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\36\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\36\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
03:46:59 (24216): C:/Windows/system32/cmd.exe exited; CPU time 2542.484375
03:46:59 (24216): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 42638258 bytes.
Dumping objects ->
{3835225} normal block at 0x00000242B1340D80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x00000242B1340C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x00000242B1340AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835192} normal block at 0x00000242B1340A00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x00000242B1340A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835150} normal block at 0x00000242B13EAE10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835139} normal block at 0x00000242B13EC500, 85 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) : {3835136} normal block at 0x00000242AF8367B0, 8 bytes long.
Data: < ¯B > 00 00 80 AF 42 02 00 00
{3834533} normal block at 0x00000242B13ECBE0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x00000242AF836A30, 8 bytes long.
Data: < Ç:±B > 80 C7 3A B1 42 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000242AF841510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000242AF82C970, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000242AF842690, 16 bytes long.
Data: <H7„¯B > 48 37 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000242AF842C80, 16 bytes long.
Data: < 7„¯B > 20 37 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000242AF83D2C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000242AF842B40, 16 bytes long.
Data: <ø6„¯B > F8 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000242AF842F00, 16 bytes long.
Data: <Ð6„¯B > D0 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000242AF842460, 16 bytes long.
Data: <¨6„¯B > A8 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000242AF8428C0, 16 bytes long.
Data: < 6„¯B > 80 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000242AF83CB60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000242AF842960, 16 bytes long.
Data: <¸Åƒ¯B > B8 C5 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000242AF83DC80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000242AF842DC0, 16 bytes long.
Data: < Ń¯B > 90 C5 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000242AF842640, 16 bytes long.
Data: <hŃ¯B > 68 C5 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000242AF8427D0, 16 bytes long.
Data: <@Ń¯B > 40 C5 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000242AF842E60, 16 bytes long.
Data: < Ń¯B > 18 C5 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000242AF842C30, 16 bytes long.
Data: <ðă¯B > F0 C4 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000242AF8426E0, 16 bytes long.
Data: <Èă¯B > C8 C4 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000242AF83DB60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000242AF842550, 16 bytes long.
Data: < Äƒ¯B > A0 C4 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000242AF83C4A0, 320 bytes long.
Data: <P%„¯B `Ûƒ¯B > 50 25 84 AF 42 02 00 00 60 DB 83 AF 42 02 00 00
{272} normal block at 0x00000242AF8433B0, 16 bytes long.
Data: <`6„¯B > 60 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000242AF842730, 16 bytes long.
Data: <86„¯B > 38 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000242AF83DAA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000242AF842F50, 16 bytes long.
Data: < 6„¯B > 10 36 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000242AF83D500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000242AF842B90, 16 bytes long.
Data: <X5„¯B > 58 35 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000242AF842CD0, 16 bytes long.
Data: <05„¯B > 30 35 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000242AF842AF0, 16 bytes long.
Data: < 5„¯B > 08 35 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000242AF842E10, 16 bytes long.
Data: <à4„¯B > E0 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000242AF842780, 16 bytes long.
Data: <¸4„¯B > B8 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000242AF842AA0, 16 bytes long.
Data: < 4„¯B > 90 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000242AF843270, 16 bytes long.
Data: <°Ìƒ¯B > B0 CC 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000242AF83CCB0, 40 bytes long.
Data: <p2„¯B ®>±B > 70 32 84 AF 42 02 00 00 10 AE 3E B1 42 02 00 00
{258} normal block at 0x00000242AF843220, 16 bytes long.
Data: <p4„¯B > 70 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000242AF842A50, 16 bytes long.
Data: <H4„¯B > 48 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000242AF83D440, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000242AF8425A0, 16 bytes long.
Data: < 4„¯B > 20 34 84 AF 42 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000242AF843420, 992 bytes long.
Data: < %„¯B @Ôƒ¯B > A0 25 84 AF 42 02 00 00 40 D4 83 AF 42 02 00 00
{90} normal block at 0x00000242AF83CF00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000242AF836670, 16 bytes long.
Data: <ðʃ¯B > F0 CA 83 AF 42 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000242AF83CAF0, 40 bytes long.
Data: <pfƒ¯B σ¯B > 70 66 83 AF 42 02 00 00 00 CF 83 AF 42 02 00 00
{67} normal block at 0x00000242AF836C60, 16 bytes long.
Data: < ê ¹÷ > 80 EA 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000242AF836580, 16 bytes long.
Data: <@é ¹÷ > 40 E9 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000242AF836C10, 16 bytes long.
Data: <øW ¹÷ > F8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000242AF836490, 16 bytes long.
Data: <ØW ¹÷ > D8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000242AF836440, 16 bytes long.
Data: <P ¹÷ > 50 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000242AF836B20, 16 bytes long.
Data: <0 ¹÷ > 30 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000242AF836FD0, 16 bytes long.
Data: <à ¹÷ > E0 02 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000242AF837340, 16 bytes long.
Data: < ¹÷ > 10 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000242AF836990, 16 bytes long.
Data: <p ¹÷ > 70 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000242AF837160, 16 bytes long.
Data: < À ¹÷ > 18 C0 15 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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