Task 38647078
| Name | test_919-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3282_2 |
| Workunit | 31591756 |
| Created | 23 Oct 2026, 18:46:51 UTC |
| Sent | 23 Oct 2026, 18:46:59 UTC |
| Report deadline | 28 Oct 2026, 18:46:59 UTC |
| Received | 24 Oct 2026, 2:35:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 563109 |
| Run time | 1 hours 36 min 37 sec |
| CPU time | 1 hours 21 min 6 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 661.97 MB |
| Peak swap size | 2.18 GB |
| Peak disk usage | 4.10 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:43:09 (988): wrapper (7.9.26016): starting
16:43:09 (988): 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
16:43:12 (988): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:43:12 (988): 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\5\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\5\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x00000170B1B368E0, 8 bytes long.
Data: < ~ p > 00 00 7E B3 70 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x00000170B36D79D0, 1080 bytes long.
Data: <\ > 5C 13 00 00 CD CD CD CD D8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000170B1B3FB40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:45:56 (10724): wrapper (7.9.26016): starting
18:45:56 (10724): 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\5\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000001E5FF6514C0, 8 bytes long.
Data: < > 00 00 BD FF E5 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001E5FF653730, 1080 bytes long.
Data: <(& 4 > 28 26 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
Object dump complete.
20:29:37 (1672): wrapper (7.9.26016): starting
20:29:37 (1672): 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\5\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
20:34:32 (1672): C:/Windows/system32/cmd.exe exited; CPU time 232.718750
20:34:32 (1672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 2907276 bytes.
Dumping objects ->
{1604} normal block at 0x000001DF166EBFC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001DF166EC260, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001DF166EBD90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001DF166EBE00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001DF166EBEE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001DF166DC5D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1518} normal block at 0x000001DF166F2F30, 235 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) : {1515} normal block at 0x000001DF166F1DA0, 8 bytes long.
Data: < j > 00 00 6A 16 DF 01 00 00
{908} normal block at 0x000001DF166F3C40, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x000001DF166F1D50, 8 bytes long.
Data: < Do > C0 44 6F 16 DF 01 00 00
{289} normal block at 0x000001DF166DBF60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001DF166F22A0, 16 bytes long.
Data: < Co > C8 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DF166F2250, 16 bytes long.
Data: < Co > A0 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DF166EDD00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001DF166F1D00, 16 bytes long.
Data: <xCo > 78 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DF166F2200, 16 bytes long.
Data: <PCo > 50 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DF166F2840, 16 bytes long.
Data: <(Co > 28 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DF166F21B0, 16 bytes long.
Data: < Co > 00 43 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DF166EBF50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001DF166F23E0, 16 bytes long.
Data: < n > C8 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DF166EDAC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001DF166F1C10, 16 bytes long.
Data: < n > A0 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DF166F1B70, 16 bytes long.
Data: <x n > 78 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DF166F2890, 16 bytes long.
Data: <P n > 50 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DF166F1DF0, 16 bytes long.
Data: <( n > 28 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DF166F2A70, 16 bytes long.
Data: < n > 00 CF 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DF166F2160, 16 bytes long.
Data: < n > D8 CE 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DF166ED700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001DF166F2020, 16 bytes long.
Data: < n > B0 CE 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DF166ECEB0, 320 bytes long.
Data: < o n > 20 20 6F 16 DF 01 00 00 00 D7 6E 16 DF 01 00 00
{268} normal block at 0x000001DF166F1CB0, 16 bytes long.
Data: < Bo > E0 42 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DF166F1FD0, 16 bytes long.
Data: < Bo > B8 42 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DF166ED580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001DF166F1F80, 16 bytes long.
Data: < Bo > 90 42 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DF166EDA60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001DF166F2750, 16 bytes long.
Data: < Ao > D8 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DF166F20C0, 16 bytes long.
Data: < Ao > B0 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DF166F1EE0, 16 bytes long.
Data: < Ao > 88 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DF166F1B20, 16 bytes long.
Data: <`Ao > 60 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DF166F2570, 16 bytes long.
Data: <8Ao > 38 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DF166F26B0, 16 bytes long.
Data: < Ao > 10 41 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DF166F27F0, 16 bytes long.
Data: < n > 90 C4 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DF166EC490, 40 bytes long.
Data: < 'o m > F0 27 6F 16 DF 01 00 00 D0 C5 6D 16 DF 01 00 00
{254} normal block at 0x000001DF166F2520, 16 bytes long.
Data: < @o > F0 40 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001DF166F2480, 16 bytes long.
Data: < @o > C8 40 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001DF166EDEE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001DF166F2A20, 16 bytes long.
Data: < @o > A0 40 6F 16 DF 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001DF166F40A0, 992 bytes long.
Data: < *o n > 20 2A 6F 16 DF 01 00 00 E0 DE 6E 16 DF 01 00 00
{86} normal block at 0x000001DF166ED160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001DF166E7E00, 16 bytes long.
Data: <0 n > 30 C0 6E 16 DF 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001DF166EC030, 40 bytes long.
Data: < ~n ` n > 00 7E 6E 16 DF 01 00 00 60 D1 6E 16 DF 01 00 00
{63} normal block at 0x000001DF166E7360, 16 bytes long.
Data: < 0 > 80 EA 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DF166E77C0, 16 bytes long.
Data: <@ 0 > 40 E9 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DF166E72C0, 16 bytes long.
Data: < W- > F8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DF166E7270, 16 bytes long.
Data: < W- > D8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DF166E7D10, 16 bytes long.
Data: <P - > 50 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DF166E7220, 16 bytes long.
Data: <0 - > 30 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DF166E7630, 16 bytes long.
Data: < - > E0 02 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001DF166E7540, 16 bytes long.
Data: < - > 10 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001DF166E7180, 16 bytes long.
Data: <p - > 70 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001DF166E7770, 16 bytes long.
Data: < + > 18 C0 2B 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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