Task 38671700
| Name | test_902-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5885_0 |
| Workunit | 31613889 |
| Created | 25 Oct 2026, 21:18:43 UTC |
| Sent | 25 Oct 2026, 21:18:49 UTC |
| Report deadline | 30 Oct 2026, 21:18:49 UTC |
| Received | 25 Oct 2026, 22:02:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610797 |
| Run time | 14 min 27 sec |
| CPU time | 13 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 762.18 MB |
| Peak swap size | 13.06 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:48:04 (5628): wrapper (7.9.26016): starting
22:48:04 (5628): 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
22:48:05 (5628): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:48:05 (5628): 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:\DataBOINC\slots\0\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:\DataBOINC\slots\0\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
23:01:57 (5628): C:/Windows/system32/cmd.exe exited; CPU time 793.656250
23:01:57 (5628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 12674563 bytes.
Dumping objects ->
{3835610} normal block at 0x0000023B9B216CF0, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835599} normal block at 0x0000023B9D003AD0, 32 bytes long.
Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835588} normal block at 0x0000023B9D0030B0, 32 bytes long.
Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43
{3835577} normal block at 0x0000023B9D0028D0, 32 bytes long.
Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835566} normal block at 0x0000023B9D002AB0, 32 bytes long.
Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F
{3835535} normal block at 0x0000023B9B216B30, 48 bytes long.
Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E
{3835524} normal block at 0x0000023B9CFD05E0, 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) : {3835521} normal block at 0x0000023B9B211220, 8 bytes long.
Data: < ›; > 00 00 1E 9B 3B 02 00 00
{3834715} normal block at 0x0000023B9CFD01C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000023B9B211090, 8 bytes long.
Data: < V ; > 20 56 01 9D 3B 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023B9B20F650, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023B9B208C60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000023B9B217420, 16 bytes long.
Data: <Ø„!›; > D8 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023B9B217920, 16 bytes long.
Data: <°„!›; > B0 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023B9B212060, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000023B9B218140, 16 bytes long.
Data: < „!›; > 88 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023B9B218000, 16 bytes long.
Data: <`„!›; > 60 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023B9B217BF0, 16 bytes long.
Data: <8„!›; > 38 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023B9B217F60, 16 bytes long.
Data: < „!›; > 10 84 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023B9B217070, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000023B9B217380, 16 bytes long.
Data: < ê ›; > 88 EA 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023B9B212000, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000023B9B217FB0, 16 bytes long.
Data: <`ê ›; > 60 EA 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023B9B2172E0, 16 bytes long.
Data: <8ê ›; > 38 EA 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023B9B2180F0, 16 bytes long.
Data: < ê ›; > 10 EA 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023B9B217F10, 16 bytes long.
Data: <èé ›; > E8 E9 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023B9B217B50, 16 bytes long.
Data: <Àé ›; > C0 E9 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023B9B217510, 16 bytes long.
Data: < é ›; > 98 E9 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023B9B212420, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000023B9B217EC0, 16 bytes long.
Data: <pé ›; > 70 E9 1F 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023B9B1FE970, 320 bytes long.
Data: <À~!›; $!›; > C0 7E 21 9B 3B 02 00 00 20 24 21 9B 3B 02 00 00
{276} normal block at 0x0000023B9B217B00, 16 bytes long.
Data: <ðƒ!›; > F0 83 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023B9B2178D0, 16 bytes long.
Data: <ȃ!›; > C8 83 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023B9B212960, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000023B9B217A60, 16 bytes long.
Data: < ƒ!›; > A0 83 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023B9B212180, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000023B9B217880, 16 bytes long.
Data: <è‚!›; > E8 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023B9B217E70, 16 bytes long.
Data: <À‚!›; > C0 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023B9B217A10, 16 bytes long.
Data: < ‚!›; > 98 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023B9B217830, 16 bytes long.
Data: <p‚!›; > 70 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023B9B217D30, 16 bytes long.
Data: <H‚!›; > 48 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023B9B217C40, 16 bytes long.
Data: < ‚!›; > 20 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023B9B217790, 16 bytes long.
Data: < p!›; > 00 70 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023B9B217000, 40 bytes long.
Data: < w!›; 0k!›; > 90 77 21 9B 3B 02 00 00 30 6B 21 9B 3B 02 00 00
{262} normal block at 0x0000023B9B217740, 16 bytes long.
Data: < ‚!›; > 00 82 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023B9B2176F0, 16 bytes long.
Data: <Ø !›; > D8 81 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023B9B211F40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000023B9B2177E0, 16 bytes long.
Data: <° !›; > B0 81 21 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023B9B2181B0, 992 bytes long.
Data: <àw!›; @ !›; > E0 77 21 9B 3B 02 00 00 40 1F 21 9B 3B 02 00 00
{94} normal block at 0x0000023B9B212AE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000023B9B2119A0, 16 bytes long.
Data: < ›; > 90 12 20 9B 3B 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000023B9B201290, 40 bytes long.
Data: <  !›; à*!›; > A0 19 21 9B 3B 02 00 00 E0 2A 21 9B 3B 02 00 00
{71} normal block at 0x0000023B9B211450, 16 bytes long.
Data: < ê>7ö > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023B9B211B80, 16 bytes long.
Data: <@é>7ö > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023B9B2118B0, 16 bytes long.
Data: <øW;7ö > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023B9B211C70, 16 bytes long.
Data: <ØW;7ö > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023B9B2110E0, 16 bytes long.
Data: <P ;7ö > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023B9B210F50, 16 bytes long.
Data: <0 ;7ö > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023B9B211860, 16 bytes long.
Data: <à ;7ö > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023B9B211810, 16 bytes long.
Data: < ;7ö > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023B9B2115E0, 16 bytes long.
Data: <p ;7ö > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023B9B211130, 16 bytes long.
Data: < À97ö > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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