Task 38677500
| Name | test_164-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4234_0 |
| Workunit | 31619370 |
| Created | 26 Oct 2026, 14:32:00 UTC |
| Sent | 26 Oct 2026, 14:32:07 UTC |
| Report deadline | 31 Oct 2026, 14:32:07 UTC |
| Received | 27 Oct 2026, 3:42:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628119 |
| Run time | 37 min 44 sec |
| CPU time | 31 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.59 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:03:34 (61424): wrapper (7.9.26016): starting
22:03:34 (61424): 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
22:03:36 (61424): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:03:36 (61424): 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\42\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\42\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
22:39:17 (61424): C:/Windows/system32/cmd.exe exited; CPU time 1891.890625
22:39:17 (61424): 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: 60415217 bytes.
Dumping objects ->
{3835488} normal block at 0x000002419D77EC20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x000002419D77E670, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000002419D77E9F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835455} normal block at 0x000002419BA76950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835444} normal block at 0x000002419BA768E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835413} normal block at 0x000002419D7C6290, 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) : {3835400} normal block at 0x000002419BA71E60, 8 bytes long.
Data: < ¡›A > 00 00 A1 9B 41 02 00 00
{3833967} normal block at 0x000002419BA71F50, 8 bytes long.
Data: < ज़A > 90 E0 A5 9B 41 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002419BA722E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002419BA5F930, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002419BA77560, 16 bytes long.
Data: <ø‚§›A > F8 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002419BA77BF0, 16 bytes long.
Data: <Ђ§›A > D0 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002419BA6EE50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002419BA77100, 16 bytes long.
Data: <¨‚§›A > A8 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002419BA77790, 16 bytes long.
Data: < ‚§›A > 80 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002419BA77510, 16 bytes long.
Data: <X‚§›A > 58 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002419BA77470, 16 bytes long.
Data: <0‚§›A > 30 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002419BA76A30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002419BA77D80, 16 bytes long.
Data: <X§¦›A > 58 A7 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002419BA6F270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002419BA77E20, 16 bytes long.
Data: <0§¦›A > 30 A7 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002419BA77060, 16 bytes long.
Data: < §¦›A > 08 A7 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002419BA77AB0, 16 bytes long.
Data: <দ›A > E0 A6 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002419BA77240, 16 bytes long.
Data: <¸¦¦›A > B8 A6 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002419BA776A0, 16 bytes long.
Data: < ¦¦›A > 90 A6 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002419BA77A60, 16 bytes long.
Data: <h¦¦›A > 68 A6 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002419BA6F210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002419BA77420, 16 bytes long.
Data: <@¦¦›A > 40 A6 A6 9B 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002419BA6A640, 320 bytes long.
Data: < t§›A ò¦›A > 20 74 A7 9B 41 02 00 00 10 F2 A6 9B 41 02 00 00
{279} normal block at 0x000002419BA774C0, 16 bytes long.
Data: < ‚§›A > 10 82 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002419BA77E70, 16 bytes long.
Data: <è §›A > E8 81 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002419BA6ED30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002419BA77A10, 16 bytes long.
Data: <À §›A > C0 81 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002419BA6EDF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002419BA77830, 16 bytes long.
Data: < §›A > 08 81 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002419BA771F0, 16 bytes long.
Data: <à §›A > E0 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002419BA77B50, 16 bytes long.
Data: <¸ §›A > B8 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002419BA77970, 16 bytes long.
Data: < §›A > 90 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002419BA77BA0, 16 bytes long.
Data: <h §›A > 68 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002419BA779C0, 16 bytes long.
Data: <@ §›A > 40 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002419BA77EC0, 16 bytes long.
Data: <Ài§›A > C0 69 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002419BA769C0, 40 bytes long.
Data: <À~§›A b| A > C0 7E A7 9B 41 02 00 00 90 62 7C 9D 41 02 00 00
{265} normal block at 0x000002419BA776F0, 16 bytes long.
Data: < §›A > 20 80 A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002419BA77B00, 16 bytes long.
Data: <ø §›A > F8 7F A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002419BA6F510, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002419BA773D0, 16 bytes long.
Data: <Ð §›A > D0 7F A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002419BA77FD0, 992 bytes long.
Data: <Ðs§›A õ¦›A > D0 73 A7 9B 41 02 00 00 10 F5 A6 9B 41 02 00 00
{97} normal block at 0x000002419BA6F090, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002419BA71B90, 16 bytes long.
Data: < n§›A > 90 6E A7 9B 41 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002419BA76E90, 40 bytes long.
Data: < §›A ð¦›A > 90 1B A7 9B 41 02 00 00 90 F0 A6 9B 41 02 00 00
{74} normal block at 0x000002419BA71AA0, 16 bytes long.
Data: < êú@ö > 80 EA FA 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002419BA716E0, 16 bytes long.
Data: <@éú@ö > 40 E9 FA 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002419BA71410, 16 bytes long.
Data: <øW÷@ö > F8 57 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002419BA71500, 16 bytes long.
Data: <ØW÷@ö > D8 57 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002419BA71EB0, 16 bytes long.
Data: <P ÷@ö > 50 04 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002419BA71460, 16 bytes long.
Data: <0 ÷@ö > 30 04 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002419BA71A50, 16 bytes long.
Data: <à ÷@ö > E0 02 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002419BA71550, 16 bytes long.
Data: < ÷@ö > 10 04 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002419BA71870, 16 bytes long.
Data: <p ÷@ö > 70 04 F7 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002419BA71230, 16 bytes long.
Data: < Àõ@ö > 18 C0 F5 40 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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