Task 38685824
| Name | test_523-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5395_0 |
| Workunit | 31627278 |
| Created | 27 Oct 2026, 23:09:46 UTC |
| Sent | 27 Oct 2026, 23:09:57 UTC |
| Report deadline | 1 Nov 2026, 23:09:57 UTC |
| Received | 28 Oct 2026, 14:05:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 48 min 34 sec |
| CPU time | 33 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.95 MB |
| Peak swap size | 3.09 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:11:59 (296): wrapper (7.9.26016): starting
00:11:59 (296): 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
00:12:01 (296): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:12:01 (296): 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.
14:24:45 (16400): wrapper (7.9.26016): starting
14:24:45 (16400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
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
15:04:46 (16400): C:/Windows/system32/cmd.exe exited; CPU time 1722.906250
15:04:46 (16400): 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: 37222326 bytes.
Dumping objects ->
{1614} normal block at 0x00000278574A5620, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x00000278574A5850, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x00000278574A5770, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x00000278574A5C40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x00000278574A55B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000002785748F130, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x000002785748C8A0, 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) : {1525} normal block at 0x00000278574A6B60, 8 bytes long.
Data: < Wx > 00 00 A9 57 78 02 00 00
{906} normal block at 0x000002785748F080, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000278574A6E80, 8 bytes long.
Data: <0uJWx > 30 75 4A 57 78 02 00 00
{295} normal block at 0x00000278574975B0, 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 0x00000278574A6A20, 16 bytes long.
Data: <(dJWx > 28 64 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000278574A6C50, 16 bytes long.
Data: < dJWx > 00 64 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002785749ECB0, 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 0x00000278574A7470, 16 bytes long.
Data: < cJWx > D8 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000278574A69D0, 16 bytes long.
Data: < cJWx > B0 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000278574A6AC0, 16 bytes long.
Data: < cJWx > 88 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000278574A67F0, 16 bytes long.
Data: <`cJWx > 60 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000278574A5BD0, 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 0x00000278574A67A0, 16 bytes long.
Data: < HWx > 18 F5 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002785749EBF0, 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 0x00000278574A6660, 16 bytes long.
Data: < HWx > F0 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000278574A6750, 16 bytes long.
Data: < HWx > C8 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000278574A6930, 16 bytes long.
Data: < HWx > A0 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000278574A6DE0, 16 bytes long.
Data: <x HWx > 78 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000278574A6980, 16 bytes long.
Data: <P HWx > 50 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000278574A6BB0, 16 bytes long.
Data: <( HWx > 28 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002785749E6B0, 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 0x00000278574A6D90, 16 bytes long.
Data: < HWx > 00 F4 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002785748F400, 320 bytes long.
Data: < mJWx IWx > 90 6D 4A 57 78 02 00 00 B0 E6 49 57 78 02 00 00
{274} normal block at 0x00000278574A68E0, 16 bytes long.
Data: <@cJWx > 40 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000278574A6F70, 16 bytes long.
Data: < cJWx > 18 63 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002785749E7D0, 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 0x00000278574A71A0, 16 bytes long.
Data: < bJWx > F0 62 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002785749EC50, 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 0x00000278574A6E30, 16 bytes long.
Data: <8bJWx > 38 62 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000278574A6CF0, 16 bytes long.
Data: < bJWx > 10 62 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000278574A6CA0, 16 bytes long.
Data: < aJWx > E8 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000278574A6D40, 16 bytes long.
Data: < aJWx > C0 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000278574A6B10, 16 bytes long.
Data: < aJWx > 98 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002785749FD80, 16 bytes long.
Data: <paJWx > 70 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000278574A0690, 16 bytes long.
Data: <@UJWx > 40 55 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000278574A5540, 40 bytes long.
Data: < JWx 0 HWx > 90 06 4A 57 78 02 00 00 30 F1 48 57 78 02 00 00
{260} normal block at 0x000002785749FF60, 16 bytes long.
Data: <PaJWx > 50 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002785749FC90, 16 bytes long.
Data: <(aJWx > 28 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002785749E590, 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 0x000002785749FC40, 16 bytes long.
Data: < aJWx > 00 61 4A 57 78 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000278574A6100, 992 bytes long.
Data: <@ IWx IWx > 40 FC 49 57 78 02 00 00 90 E5 49 57 78 02 00 00
{92} normal block at 0x000002785749E470, 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 0x00000278574A0870, 16 bytes long.
Data: <0 HWx > 30 C8 48 57 78 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002785748C830, 40 bytes long.
Data: <p JWx p IWx > 70 08 4A 57 78 02 00 00 70 E4 49 57 78 02 00 00
{69} normal block at 0x00000278574A0780, 16 bytes long.
Data: < L > 80 EA 4C BB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000278574A0A00, 16 bytes long.
Data: <@ L > 40 E9 4C BB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002785749FEC0, 16 bytes long.
Data: < WI > F8 57 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000278574A01E0, 16 bytes long.
Data: < WI > D8 57 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002785749FF10, 16 bytes long.
Data: <P I > 50 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000278574A09B0, 16 bytes long.
Data: <0 I > 30 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002785749FAB0, 16 bytes long.
Data: < I > E0 02 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000278574A0730, 16 bytes long.
Data: < I > 10 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000278574A0820, 16 bytes long.
Data: <p I > 70 04 49 BB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000278574A02D0, 16 bytes long.
Data: < G > 18 C0 47 BB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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