Task 38676847
| Name | test_719-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6674_0 |
| Workunit | 31618741 |
| Created | 26 Oct 2026, 12:31:31 UTC |
| Sent | 26 Oct 2026, 12:31:41 UTC |
| Report deadline | 31 Oct 2026, 12:31:41 UTC |
| Received | 26 Oct 2026, 14:36:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 478420 |
| Run time | 1 hours 1 min 57 sec |
| CPU time | 57 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 658.12 MB |
| Peak swap size | 2.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:36:08 (24964): wrapper (7.9.26016): starting
15:36:08 (24964): 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
15:36:10 (24964): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:36:10 (24964): 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\7\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\7\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
16:35:56 (24964): C:/Windows/system32/cmd.exe exited; CPU time 3422.093750
16:35:56 (24964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 57700905 bytes.
Dumping objects ->
{3835257} normal block at 0x000001EDD7960CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000001EDD7960E60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x000001EDD7960920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835224} normal block at 0x000001EDD7961410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001EDD7960C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835182} normal block at 0x000001EDD7A6BEF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835169} normal block at 0x000001EDD5F17510, 8 bytes long.
Data: < —×í > 00 00 97 D7 ED 01 00 00
{3833951} normal block at 0x000001EDD5F16CF0, 8 bytes long.
Data: < DúÕí > 10 44 FA D5 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EDD5F1CE60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EDD5F06120, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001EDD5F23EA0, 16 bytes long.
Data: <èÊñÕí > E8 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EDD5F23E50, 16 bytes long.
Data: <ÀÊñÕí > C0 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EDD5F1D2E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001EDD5F23FE0, 16 bytes long.
Data: < ÊñÕí > 98 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EDD5F239F0, 16 bytes long.
Data: <pÊñÕí > 70 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EDD5F23720, 16 bytes long.
Data: <HÊñÕí > 48 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EDD5F238B0, 16 bytes long.
Data: < ÊñÕí > 20 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EDD5F1B8D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001EDD5F231D0, 16 bytes long.
Data: <¸`ðÕí > B8 60 F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EDD5F1D9A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001EDD5F23680, 16 bytes long.
Data: < `ðÕí > 90 60 F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EDD5F23CC0, 16 bytes long.
Data: <h`ðÕí > 68 60 F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EDD5F23B80, 16 bytes long.
Data: <@`ðÕí > 40 60 F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EDD5F23180, 16 bytes long.
Data: < `ðÕí > 18 60 F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EDD5F235E0, 16 bytes long.
Data: <ð_ðÕí > F0 5F F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EDD5F23E00, 16 bytes long.
Data: <È_ðÕí > C8 5F F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EDD5F1D760, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001EDD5F23F90, 16 bytes long.
Data: < _ðÕí > A0 5F F0 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EDD5F05FA0, 320 bytes long.
Data: < ?òÕí `×ñÕí > 90 3F F2 D5 ED 01 00 00 60 D7 F1 D5 ED 01 00 00
{271} normal block at 0x000001EDD5F23B30, 16 bytes long.
Data: < ÊñÕí > 00 CA F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EDD5F23AE0, 16 bytes long.
Data: <ØÉñÕí > D8 C9 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EDD5F1DD60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001EDD5F234F0, 16 bytes long.
Data: <°ÉñÕí > B0 C9 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EDD5F1DE80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001EDD5F23360, 16 bytes long.
Data: <øÈñÕí > F8 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EDD5F23A90, 16 bytes long.
Data: <ÐÈñÕí > D0 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EDD5F23860, 16 bytes long.
Data: <¨ÈñÕí > A8 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EDD5F23590, 16 bytes long.
Data: < ÈñÕí > 80 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EDD5F23F40, 16 bytes long.
Data: <XÈñÕí > 58 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EDD5F23D60, 16 bytes long.
Data: <0ÈñÕí > 30 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EDD5F236D0, 16 bytes long.
Data: <à»ñÕí > E0 BB F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EDD5F1BBE0, 40 bytes long.
Data: <Ð6òÕí ð¾¦×í > D0 36 F2 D5 ED 01 00 00 F0 BE A6 D7 ED 01 00 00
{257} normal block at 0x000001EDD5F23A40, 16 bytes long.
Data: < ÈñÕí > 10 C8 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EDD5F234A0, 16 bytes long.
Data: <èÇñÕí > E8 C7 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EDD5F1DAC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001EDD5F23540, 16 bytes long.
Data: <ÀÇñÕí > C0 C7 F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001EDD5F1C7C0, 992 bytes long.
Data: <@5òÕí ÀÚñÕí > 40 35 F2 D5 ED 01 00 00 C0 DA F1 D5 ED 01 00 00
{89} normal block at 0x000001EDD5F1D8E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001EDD5F16F70, 16 bytes long.
Data: < ¾ñÕí > 80 BE F1 D5 ED 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001EDD5F1BE80, 40 bytes long.
Data: <poñÕí àØñÕí > 70 6F F1 D5 ED 01 00 00 E0 D8 F1 D5 ED 01 00 00
{66} normal block at 0x000001EDD5F16FC0, 16 bytes long.
Data: < ê½^÷ > 80 EA BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EDD5F174C0, 16 bytes long.
Data: <@é½^÷ > 40 E9 BD 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EDD5F167F0, 16 bytes long.
Data: <øWº^÷ > F8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EDD5F17010, 16 bytes long.
Data: <ØWº^÷ > D8 57 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EDD5F16C00, 16 bytes long.
Data: <P º^÷ > 50 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EDD5F16890, 16 bytes long.
Data: <0 º^÷ > 30 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EDD5F16840, 16 bytes long.
Data: <à º^÷ > E0 02 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EDD5F16F20, 16 bytes long.
Data: < º^÷ > 10 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EDD5F17150, 16 bytes long.
Data: <p º^÷ > 70 04 BA 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001EDD5F16D90, 16 bytes long.
Data: < À¸^÷ > 18 C0 B8 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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