Task 38658294
| Name | test_760-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND7597_1 |
| Workunit | 31601518 |
| Created | 24 Oct 2026, 12:30:54 UTC |
| Sent | 24 Oct 2026, 12:40:11 UTC |
| Report deadline | 29 Oct 2026, 12:40:11 UTC |
| Received | 24 Oct 2026, 14:54:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611806 |
| Run time | 50 min 38 sec |
| CPU time | 48 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.44 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:04:22 (268): wrapper (7.9.26016): starting
09:04:22 (268): 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
09:04:23 (268): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:04:23 (268): 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\8\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\8\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
09:53:45 (268): C:/Windows/system32/cmd.exe exited; CPU time 2898.156250
09:53:45 (268): 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: 54656403 bytes.
Dumping objects ->
{3835229} normal block at 0x0000024C8BAC5EE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000024C89DE5270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000024C89DE50B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x0000024C89DE5200, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000024C89DE5040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x0000024C8BA64730, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835143} normal block at 0x0000024C8BA7F240, 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) : {3835140} normal block at 0x0000024C89DDFDC0, 8 bytes long.
Data: < Û‰L > 00 00 DB 89 4C 02 00 00
{3834541} normal block at 0x0000024C8BA7EED0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000024C89DDF000, 8 bytes long.
Data: <àHÞ‰L > E0 48 DE 89 4C 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024C89DE1400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024C89DD68B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000024C89DE5DF0, 16 bytes long.
Data: <XnމL > 58 6E DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024C89DE6980, 16 bytes long.
Data: <0nމL > 30 6E DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024C89DE0E10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000024C89DE5FD0, 16 bytes long.
Data: < nމL > 08 6E DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024C89DE6660, 16 bytes long.
Data: <àmÞ‰L > E0 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024C89DE6610, 16 bytes long.
Data: <¸mÞ‰L > B8 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024C89DE5BC0, 16 bytes long.
Data: < mމL > 90 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024C89DE54A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000024C89DE63E0, 16 bytes long.
Data: <H“݉L > 48 93 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024C89DE02D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000024C89DE5E40, 16 bytes long.
Data: < “݉L > 20 93 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024C89DE65C0, 16 bytes long.
Data: <ø’݉L > F8 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024C89DE68E0, 16 bytes long.
Data: <В݉L > D0 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024C89DE6890, 16 bytes long.
Data: <¨’݉L > A8 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024C89DE6200, 16 bytes long.
Data: < ’݉L > 80 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024C89DE6430, 16 bytes long.
Data: <X’݉L > 58 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024C89DE0AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000024C89DE6110, 16 bytes long.
Data: <0’݉L > 30 92 DD 89 4C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024C89DD9230, 320 bytes long.
Data: < aÞ‰L ° Þ‰L > 10 61 DE 89 4C 02 00 00 B0 0A DE 89 4C 02 00 00
{277} normal block at 0x0000024C89DE6A20, 16 bytes long.
Data: <pmމL > 70 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024C89DE62F0, 16 bytes long.
Data: <HmމL > 48 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024C89DE0270, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000024C89DE67F0, 16 bytes long.
Data: < mމL > 20 6D DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024C89DE00F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000024C89DE6520, 16 bytes long.
Data: <hlމL > 68 6C DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024C89DE5C60, 16 bytes long.
Data: <@lމL > 40 6C DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024C89DE62A0, 16 bytes long.
Data: < lމL > 18 6C DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024C89DE6390, 16 bytes long.
Data: <ðkÞ‰L > F0 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024C89DE6570, 16 bytes long.
Data: <ÈkÞ‰L > C8 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024C89DE5CB0, 16 bytes long.
Data: < kÞ‰L > A0 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024C89DE6480, 16 bytes long.
Data: <PSމL > 50 53 DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024C89DE5350, 40 bytes long.
Data: < dÞ‰L 0G¦‹L > 80 64 DE 89 4C 02 00 00 30 47 A6 8B 4C 02 00 00
{263} normal block at 0x0000024C89DE5F80, 16 bytes long.
Data: < kމL > 80 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024C89DE6160, 16 bytes long.
Data: <XkމL > 58 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024C89DE0C30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000024C89DE6340, 16 bytes long.
Data: <0kމL > 30 6B DE 89 4C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024C89DE6B30, 992 bytes long.
Data: <@cމL 0 މL > 40 63 DE 89 4C 02 00 00 30 0C DE 89 4C 02 00 00
{95} normal block at 0x0000024C89DE06F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000024C89DDFAA0, 16 bytes long.
Data: < ñ܉L > 10 F1 DC 89 4C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000024C89DCF110, 40 bytes long.
Data: < ú݉L ð Þ‰L > A0 FA DD 89 4C 02 00 00 F0 06 DE 89 4C 02 00 00
{72} normal block at 0x0000024C89DDFD70, 16 bytes long.
Data: < êcX÷ > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024C89DDFE60, 16 bytes long.
Data: <@écX÷ > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024C89DDF370, 16 bytes long.
Data: <øW`X÷ > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024C89DDF9B0, 16 bytes long.
Data: <ØW`X÷ > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024C89DDF730, 16 bytes long.
Data: <P `X÷ > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024C89DDEFB0, 16 bytes long.
Data: <0 `X÷ > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024C89DDFB40, 16 bytes long.
Data: <à `X÷ > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024C89DDF6E0, 16 bytes long.
Data: < `X÷ > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024C89DDF0F0, 16 bytes long.
Data: <p `X÷ > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024C89DDF230, 16 bytes long.
Data: < À^X÷ > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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