Task 38670993
| Name | test_92-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3868_0 |
| Workunit | 31613216 |
| Created | 25 Oct 2026, 19:11:45 UTC |
| Sent | 25 Oct 2026, 19:11:49 UTC |
| Report deadline | 30 Oct 2026, 19:11:49 UTC |
| Received | 25 Oct 2026, 20:03:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610797 |
| Run time | 16 min 10 sec |
| CPU time | 14 min 26 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 | 758.56 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
20:47:18 (23184): wrapper (7.9.26016): starting
20:47:18 (23184): 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
20:47:19 (23184): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:47:19 (23184): 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
21:02:47 (23184): C:/Windows/system32/cmd.exe exited; CPU time 866.921875
21:02:47 (23184): 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: 14831129 bytes.
Dumping objects ->
{3835610} normal block at 0x000002469BF752A0, 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 0x000002469DD52380, 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 0x000002469DD52260, 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 0x000002469DD52860, 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 0x000002469DD51600, 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 0x000002469BF75460, 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 0x000002469DD1F870, 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 0x000002469BF6DD50, 8 bytes long.
Data: < ò›F > 00 00 F2 9B 46 02 00 00
{3834715} normal block at 0x000002469DD1ED70, 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 0x000002469BF6E200, 8 bytes long.
Data: <Pä œF > 50 E4 04 9C 46 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002469BF71B30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002469BF66EC0, 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 0x000002469BF76BD0, 16 bytes long.
Data: <ho÷›F > 68 6F F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002469BF75F50, 16 bytes long.
Data: <@o÷›F > 40 6F F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002469BF6F9A0, 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 0x000002469BF765E0, 16 bytes long.
Data: < o÷›F > 18 6F F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002469BF768B0, 16 bytes long.
Data: <ðn÷›F > F0 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002469BF760E0, 16 bytes long.
Data: <Èn÷›F > C8 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002469BF764F0, 16 bytes long.
Data: < n÷›F > A0 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002469BF75620, 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 0x000002469BF764A0, 16 bytes long.
Data: < ÷õ›F > 98 F7 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002469BF702A0, 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 0x000002469BF766D0, 16 bytes long.
Data: <p÷õ›F > 70 F7 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002469BF76630, 16 bytes long.
Data: <H÷õ›F > 48 F7 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002469BF75D20, 16 bytes long.
Data: < ÷õ›F > 20 F7 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002469BF76A90, 16 bytes long.
Data: <øöõ›F > F8 F6 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002469BF75E10, 16 bytes long.
Data: <Ðöõ›F > D0 F6 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002469BF76450, 16 bytes long.
Data: <¨öõ›F > A8 F6 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002469BF70180, 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 0x000002469BF76B30, 16 bytes long.
Data: < öõ›F > 80 F6 F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002469BF5F680, 320 bytes long.
Data: <0k÷›F ÷›F > 30 6B F7 9B 46 02 00 00 80 01 F7 9B 46 02 00 00
{276} normal block at 0x000002469BF76400, 16 bytes long.
Data: < n÷›F > 80 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002469BF76360, 16 bytes long.
Data: <Xn÷›F > 58 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002469BF6F640, 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 0x000002469BF75D70, 16 bytes long.
Data: <0n÷›F > 30 6E F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002469BF6F700, 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 0x000002469BF76590, 16 bytes long.
Data: <xm÷›F > 78 6D F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002469BF76090, 16 bytes long.
Data: <Pm÷›F > 50 6D F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002469BF75FA0, 16 bytes long.
Data: <(m÷›F > 28 6D F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002469BF76040, 16 bytes long.
Data: < m÷›F > 00 6D F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002469BF763B0, 16 bytes long.
Data: <Øl÷›F > D8 6C F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002469BF75F00, 16 bytes long.
Data: <°l÷›F > B0 6C F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002469BF76B80, 16 bytes long.
Data: <ÐT÷›F > D0 54 F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002469BF754D0, 40 bytes long.
Data: < k÷›F `T÷›F > 80 6B F7 9B 46 02 00 00 60 54 F7 9B 46 02 00 00
{262} normal block at 0x000002469BF75FF0, 16 bytes long.
Data: < l÷›F > 90 6C F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002469BF76130, 16 bytes long.
Data: <hl÷›F > 68 6C F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002469BF6FAC0, 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 0x000002469BF76310, 16 bytes long.
Data: <@l÷›F > 40 6C F7 9B 46 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002469BF76C40, 992 bytes long.
Data: < c÷›F Àúö›F > 10 63 F7 9B 46 02 00 00 C0 FA F6 9B 46 02 00 00
{94} normal block at 0x000002469BF6FF40, 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 0x000002469BF6E3E0, 16 bytes long.
Data: <0êõ›F > 30 EA F5 9B 46 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002469BF5EA30, 40 bytes long.
Data: <àãö›F @ÿö›F > E0 E3 F6 9B 46 02 00 00 40 FF F6 9B 46 02 00 00
{71} normal block at 0x000002469BF6E070, 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 0x000002469BF6D760, 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 0x000002469BF6E4D0, 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 0x000002469BF6DFD0, 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 0x000002469BF6E1B0, 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 0x000002469BF6D710, 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 0x000002469BF6E5C0, 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 0x000002469BF6E430, 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 0x000002469BF6D9E0, 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 0x000002469BF6D850, 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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