Task 38657534
| Name | test_799-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4048_0 |
| Workunit | 31601174 |
| Created | 24 Oct 2026, 11:46:24 UTC |
| Sent | 24 Oct 2026, 11:55:10 UTC |
| Report deadline | 29 Oct 2026, 11:55:10 UTC |
| Received | 24 Oct 2026, 13:02:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640711 |
| Run time | 57 min 51 sec |
| CPU time | 57 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,852.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 695.67 MB |
| Peak swap size | 6.70 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:57:12 (17680): wrapper (7.9.26016): starting
07:57:12 (17680): 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
07:57:13 (17680): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:57:13 (17680): 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\15\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\15\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
09:01:11 (17680): C:/Windows/system32/cmd.exe exited; CPU time 3471.140625
09:01:11 (17680): 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: 37085641 bytes.
Dumping objects ->
{3835305} normal block at 0x0000025BA16BD9A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x0000025BA16BD930, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x0000025BA16BD7E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835272} normal block at 0x0000025B9FAD5090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835261} normal block at 0x0000025B9FAD5020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835230} normal block at 0x0000025BA1707230, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x0000025BA171F710, 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) : {3835216} normal block at 0x0000025B9FACDAE0, 8 bytes long.
Data: < B¡[ > 00 00 42 A1 5B 02 00 00
{3834584} normal block at 0x0000025BA171F190, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x0000025B9FACDF40, 8 bytes long.
Data: <ðæq¡[ > F0 E6 71 A1 5B 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000025B9FAD1FD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000025B9FAC7090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000025B9FAD6670, 16 bytes long.
Data: <Èm­Ÿ[ > C8 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000025B9FAD6850, 16 bytes long.
Data: < m­Ÿ[ > A0 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025B9FACFA40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000025B9FAD6710, 16 bytes long.
Data: <xm­Ÿ[ > 78 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025B9FAD61C0, 16 bytes long.
Data: <Pm­Ÿ[ > 50 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025B9FAD6A30, 16 bytes long.
Data: <(m­Ÿ[ > 28 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025B9FAD5C20, 16 bytes long.
Data: < m­Ÿ[ > 00 6D AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025B9FAD52C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000025B9FAD6800, 16 bytes long.
Data: <¨ñ¬Ÿ[ > A8 F1 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025B9FACFFE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000025B9FAD5EF0, 16 bytes long.
Data: < ñ¬Ÿ[ > 80 F1 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025B9FAD63F0, 16 bytes long.
Data: <Xñ¬Ÿ[ > 58 F1 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025B9FAD5DB0, 16 bytes long.
Data: <0ñ¬Ÿ[ > 30 F1 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025B9FAD6120, 16 bytes long.
Data: < ñ¬Ÿ[ > 08 F1 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025B9FAD6580, 16 bytes long.
Data: <àð¬Ÿ[ > E0 F0 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025B9FAD60D0, 16 bytes long.
Data: <¸ð¬Ÿ[ > B8 F0 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025B9FAD01C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000025B9FAD5EA0, 16 bytes long.
Data: < ð¬Ÿ[ > 90 F0 AC 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025B9FACF090, 320 bytes long.
Data: < ^­Ÿ[ À ­Ÿ[ > A0 5E AD 9F 5B 02 00 00 C0 01 AD 9F 5B 02 00 00
{282} normal block at 0x0000025B9FAD6030, 16 bytes long.
Data: <àl­Ÿ[ > E0 6C AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025B9FAD6300, 16 bytes long.
Data: <¸l­Ÿ[ > B8 6C AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025B9FACF8C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000025B9FAD5E50, 16 bytes long.
Data: < l­Ÿ[ > 90 6C AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025B9FACF6E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000025B9FAD5D60, 16 bytes long.
Data: <Øk­Ÿ[ > D8 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025B9FAD69E0, 16 bytes long.
Data: <°k­Ÿ[ > B0 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025B9FAD5FE0, 16 bytes long.
Data: < k­Ÿ[ > 88 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025B9FAD6940, 16 bytes long.
Data: <`k­Ÿ[ > 60 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025B9FAD68F0, 16 bytes long.
Data: <8k­Ÿ[ > 38 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025B9FAD62B0, 16 bytes long.
Data: < k­Ÿ[ > 10 6B AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025B9FAD6260, 16 bytes long.
Data: < T­Ÿ[ > 80 54 AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025B9FAD5480, 40 bytes long.
Data: <`b­Ÿ[ 0rp¡[ > 60 62 AD 9F 5B 02 00 00 30 72 70 A1 5B 02 00 00
{268} normal block at 0x0000025B9FAD6170, 16 bytes long.
Data: <ðj­Ÿ[ > F0 6A AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025B9FAD6530, 16 bytes long.
Data: <Èj­Ÿ[ > C8 6A AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025B9FACF680, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000025B9FAD5D10, 16 bytes long.
Data: < j­Ÿ[ > A0 6A AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025B9FAD6AA0, 992 bytes long.
Data: < ]­Ÿ[ ö¬Ÿ[ > 10 5D AD 9F 5B 02 00 00 80 F6 AC 9F 5B 02 00 00
{100} normal block at 0x0000025B9FACFBC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000025B9FACD7C0, 16 bytes long.
Data: < Q­Ÿ[ > 00 51 AD 9F 5B 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000025B9FAD5100, 40 bytes long.
Data: <À׬Ÿ[ Àû¬Ÿ[ > C0 D7 AC 9F 5B 02 00 00 C0 FB AC 9F 5B 02 00 00
{77} normal block at 0x0000025B9FACE210, 16 bytes long.
Data: < êï‘÷ > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000025B9FACDFE0, 16 bytes long.
Data: <@éï‘÷ > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000025B9FACE260, 16 bytes long.
Data: <øWì‘÷ > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000025B9FACE1C0, 16 bytes long.
Data: <ØWì‘÷ > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000025B9FACDEF0, 16 bytes long.
Data: <P ì‘÷ > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025B9FACDF90, 16 bytes long.
Data: <0 ì‘÷ > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025B9FACDEA0, 16 bytes long.
Data: <à ì‘÷ > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025B9FACDE00, 16 bytes long.
Data: < ì‘÷ > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025B9FACE170, 16 bytes long.
Data: <p ì‘÷ > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025B9FACD900, 16 bytes long.
Data: < Àê‘÷ > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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