Task 38646725
| Name | test_826-GPUGRID_TEST_ATM_1000_20261023-0-1-RND1759_0 |
| Workunit | 31591663 |
| Created | 23 Oct 2026, 16:45:33 UTC |
| Sent | 23 Oct 2026, 17:54:17 UTC |
| Report deadline | 28 Oct 2026, 17:54:17 UTC |
| Received | 23 Oct 2026, 19:43:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639300 |
| Run time | 1 hours 46 min 5 sec |
| CPU time | 1 hours 44 min 26 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 2,491.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 831.96 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:56:04 (35764): wrapper (7.9.26016): starting
13:56:04 (35764): 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
13:56:05 (35764): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:56:05 (35764): 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\0\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\0\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
15:40:44 (35764): C:/Windows/system32/cmd.exe exited; CPU time 6266.843750
15:40:44 (35764): 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: 103873113 bytes.
Dumping objects ->
{3835429} normal block at 0x000001ECEEAB1800, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835418} normal block at 0x000001ECEEAB0F40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x000001ECEEAB1480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835396} normal block at 0x000001ECEEAB1AA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835385} normal block at 0x000001ECEEAB1720, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835354} normal block at 0x000001ECEEC1AB20, 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) : {3835341} normal block at 0x000001ECECFAF850, 8 bytes long.
Data: < õìì > 00 00 F5 EC EC 01 00 00
{3833963} normal block at 0x000001ECECFAFE40, 8 bytes long.
Data: < æ íì > 10 E6 08 ED EC 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001ECECFACEF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001ECECFA3AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001ECECFBA680, 16 bytes long.
Data: <È®ûìì > C8 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ECECFBA630, 16 bytes long.
Data: < ®ûìì > A0 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ECECFB36F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001ECECFB9EB0, 16 bytes long.
Data: <x®ûìì > 78 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ECECFB9E60, 16 bytes long.
Data: <P®ûìì > 50 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ECECFBA860, 16 bytes long.
Data: <(®ûìì > 28 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECECFBA400, 16 bytes long.
Data: < ®ûìì > 00 AE FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ECECFB5C00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001ECECFBA3B0, 16 bytes long.
Data: <¨3úìì > A8 33 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ECECFB3510, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001ECECFBA590, 16 bytes long.
Data: < 3úìì > 80 33 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ECECFB9E10, 16 bytes long.
Data: <X3úìì > 58 33 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ECECFB9DC0, 16 bytes long.
Data: <03úìì > 30 33 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECECFBAB30, 16 bytes long.
Data: < 3úìì > 08 33 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ECECFB9C80, 16 bytes long.
Data: <à2úìì > E0 32 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECECFBA360, 16 bytes long.
Data: <¸2úìì > B8 32 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ECECFB4230, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001ECECFBA220, 16 bytes long.
Data: < 2úìì > 90 32 FA EC EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ECECFA3290, 320 bytes long.
Data: < ¢ûìì 0Bûìì > 20 A2 FB EC EC 01 00 00 30 42 FB EC EC 01 00 00
{277} normal block at 0x000001ECECFBA810, 16 bytes long.
Data: <à­ûìì > E0 AD FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ECECFBA7C0, 16 bytes long.
Data: <¸­ûìì > B8 AD FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ECECFB3E10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001ECECFBA310, 16 bytes long.
Data: < ­ûìì > 90 AD FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ECECFB3690, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001ECECFB9D70, 16 bytes long.
Data: <جûìì > D8 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ECECFBAAE0, 16 bytes long.
Data: <°¬ûìì > B0 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ECECFBA2C0, 16 bytes long.
Data: < ¬ûìì > 88 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECECFBA270, 16 bytes long.
Data: <`¬ûìì > 60 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECECFBA4A0, 16 bytes long.
Data: <8¬ûìì > 38 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ECECFB9D20, 16 bytes long.
Data: < ¬ûìì > 10 AC FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ECECFBA8B0, 16 bytes long.
Data: <0^ûìì > 30 5E FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ECECFB5E30, 40 bytes long.
Data: <°¨ûìì «Áîì > B0 A8 FB EC EC 01 00 00 20 AB C1 EE EC 01 00 00
{263} normal block at 0x000001ECECFB9F00, 16 bytes long.
Data: <ð«ûìì > F0 AB FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ECECFBA450, 16 bytes long.
Data: <È«ûìì > C8 AB FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ECECFB3AB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001ECECFBA770, 16 bytes long.
Data: < «ûìì > A0 AB FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ECECFBABA0, 992 bytes long.
Data: <p§ûìì °:ûìì > 70 A7 FB EC EC 01 00 00 B0 3A FB EC EC 01 00 00
{95} normal block at 0x000001ECECFB3C90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001ECECFB00C0, 16 bytes long.
Data: <@Zûìì > 40 5A FB EC EC 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001ECECFB5A40, 40 bytes long.
Data: <À ûìì <ûìì > C0 00 FB EC EC 01 00 00 90 3C FB EC EC 01 00 00
{72} normal block at 0x000001ECECFAF760, 16 bytes long.
Data: < ê[g÷ > 80 EA 5B 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001ECECFB0070, 16 bytes long.
Data: <@é[g÷ > 40 E9 5B 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ECECFAF990, 16 bytes long.
Data: <øWXg÷ > F8 57 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ECECFAFB70, 16 bytes long.
Data: <ØWXg÷ > D8 57 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ECECFB0340, 16 bytes long.
Data: <P Xg÷ > 50 04 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ECECFAFD50, 16 bytes long.
Data: <0 Xg÷ > 30 04 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ECECFAF670, 16 bytes long.
Data: <à Xg÷ > E0 02 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ECECFAFDF0, 16 bytes long.
Data: < Xg÷ > 10 04 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECECFB0390, 16 bytes long.
Data: <p Xg÷ > 70 04 58 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECECFAFFD0, 16 bytes long.
Data: < ÀVg÷ > 18 C0 56 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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