Task 38670355
| Name | test_542-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8386_0 |
| Workunit | 31612610 |
| Created | 25 Oct 2026, 17:15:39 UTC |
| Sent | 25 Oct 2026, 17:15:44 UTC |
| Report deadline | 30 Oct 2026, 17:15:44 UTC |
| Received | 25 Oct 2026, 17:38:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 22 min 24 sec |
| CPU time | 21 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.82 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:16:49 (48704): wrapper (7.9.26016): starting
13:16:49 (48704): 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
13:16:50 (48704): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:16:50 (48704): 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 'G:\BoincData\slots\19\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 'G:\BoincData\slots\19\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
13:38:19 (48704): C:/Windows/system32/cmd.exe exited; CPU time 1296.625000
13:38:19 (48704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28157379 bytes.
Dumping objects ->
{3835574} normal block at 0x000001F5DF380DF0, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x000001F5DF5574E0, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x000001F5DF556BE0, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x000001F5DF5573C0, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x000001F5DF556B20, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x000001F5DF380A00, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000001F5DD82D8C0, 8 bytes long.
Data: < ~Ýõ > 00 00 7E DD F5 01 00 00
{3833957} normal block at 0x000001F5DD82E720, 8 bytes long.
Data: < †Ýõ > 20 1A 86 DD F5 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F5DD832160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F5DD82B160, 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 0x000001F5DD83D9D0, 16 bytes long.
Data: <èæƒÝõ > E8 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5DD83D340, 16 bytes long.
Data: <ÀæƒÝõ > C0 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F5DD83A3C0, 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 0x000001F5DD83D930, 16 bytes long.
Data: < æƒÝõ > 98 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5DD83D2A0, 16 bytes long.
Data: <pæƒÝõ > 70 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F5DD83D430, 16 bytes long.
Data: <HæƒÝõ > 48 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5DD83D3E0, 16 bytes long.
Data: < æƒÝõ > 20 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F5DD839610, 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 0x000001F5DD83D250, 16 bytes long.
Data: <Xp‚Ýõ > 58 70 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F5DD83A720, 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 0x000001F5DD83D8E0, 16 bytes long.
Data: <0p‚Ýõ > 30 70 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5DD83D390, 16 bytes long.
Data: < p‚Ýõ > 08 70 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5DD83D840, 16 bytes long.
Data: <ào‚Ýõ > E0 6F 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5DD83D7A0, 16 bytes long.
Data: <¸o‚Ýõ > B8 6F 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5DD83D750, 16 bytes long.
Data: < o‚Ýõ > 90 6F 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5DD83D7F0, 16 bytes long.
Data: <ho‚Ýõ > 68 6F 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F5DD83A900, 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 0x000001F5DD83DCA0, 16 bytes long.
Data: <@o‚Ýõ > 40 6F 82 DD F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F5DD826F40, 320 bytes long.
Data: < ÜƒÝõ ©ƒÝõ > A0 DC 83 DD F5 01 00 00 00 A9 83 DD F5 01 00 00
{274} normal block at 0x000001F5DD83D700, 16 bytes long.
Data: < æƒÝõ > 00 E6 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5DD83DD40, 16 bytes long.
Data: <ØåƒÝõ > D8 E5 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F5DD83AA20, 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 0x000001F5DD83E1A0, 16 bytes long.
Data: <°åƒÝõ > B0 E5 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F5DD839E80, 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 0x000001F5DD83E060, 16 bytes long.
Data: <øäƒÝõ > F8 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5DD83D6B0, 16 bytes long.
Data: <ÐäƒÝõ > D0 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5DD83D660, 16 bytes long.
Data: <¨äƒÝõ > A8 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F5DD83D2F0, 16 bytes long.
Data: < äƒÝõ > 80 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5DD83E010, 16 bytes long.
Data: <XäƒÝõ > 58 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F5DD83D4D0, 16 bytes long.
Data: <0äƒÝõ > 30 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5DD83DAC0, 16 bytes long.
Data: <ð–ƒÝõ > F0 96 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F5DD8396F0, 40 bytes long.
Data: <ÀÚƒÝõ 8ßõ > C0 DA 83 DD F5 01 00 00 00 0A 38 DF F5 01 00 00
{260} normal block at 0x000001F5DD83D520, 16 bytes long.
Data: < äƒÝõ > 10 E4 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5DD83D5C0, 16 bytes long.
Data: <èãƒÝõ > E8 E3 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F5DD83ACC0, 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 0x000001F5DD83DC50, 16 bytes long.
Data: <ÀãƒÝõ > C0 E3 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F5DD83E3C0, 992 bytes long.
Data: <P܃Ýõ À¬ƒÝõ > 50 DC 83 DD F5 01 00 00 C0 AC 83 DD F5 01 00 00
{92} normal block at 0x000001F5DD83A8A0, 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 0x000001F5DD82DF00, 16 bytes long.
Data: < ƒÝõ > 10 9D 83 DD F5 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F5DD839D10, 40 bytes long.
Data: < ß‚Ýõ  ¨ƒÝõ > 00 DF 82 DD F5 01 00 00 A0 A8 83 DD F5 01 00 00
{69} normal block at 0x000001F5DD82DD70, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5DD82DD20, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5DD82DEB0, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5DD82E4F0, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5DD82DDC0, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5DD82E590, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5DD82DE60, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5DD82DCD0, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5DD82D870, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F5DD82DBE0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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