Task 38647638
| Name | test_525-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND9211_0 |
| Workunit | 31592365 |
| Created | 23 Oct 2026, 20:15:56 UTC |
| Sent | 23 Oct 2026, 20:34:11 UTC |
| Report deadline | 28 Oct 2026, 20:34:11 UTC |
| Received | 23 Oct 2026, 21:41:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648901 |
| Run time | 27 min 37 sec |
| CPU time | 25 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,670.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.85 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:13:52 (15292): wrapper (7.9.26016): starting
15:13:52 (15292): 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
15:13:53 (15292): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:13:53 (15292): 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\11\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\11\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
15:40:06 (15292): C:/Windows/system32/cmd.exe exited; CPU time 1514.687500
15:40:06 (15292): 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: 28559573 bytes.
Dumping objects ->
{3835198} normal block at 0x000001D233C9D7C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001D233C9D0C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001D233C9CB80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835165} normal block at 0x000001D233C9D360, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001D233C9D1A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835123} normal block at 0x000001D23593A260, 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) : {3835110} normal block at 0x000001D233C71BC0, 8 bytes long.
Data: < 4Ò > 00 00 16 34 D2 01 00 00
{3833959} normal block at 0x000001D233C71E40, 8 bytes long.
Data: <P 5Ò > 50 8D 99 35 D2 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D233C6CAD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D233C66090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001D233C79AB0, 16 bytes long.
Data: <ø§Ç3Ò > F8 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D233C7A0F0, 16 bytes long.
Data: <ЧÇ3Ò > D0 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D233C73A10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001D233C79BA0, 16 bytes long.
Data: <¨§Ç3Ò > A8 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D233C7A0A0, 16 bytes long.
Data: < §Ç3Ò > 80 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D233C79560, 16 bytes long.
Data: <X§Ç3Ò > 58 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D233C79B50, 16 bytes long.
Data: <0§Ç3Ò > 30 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D233C75130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001D233C7A320, 16 bytes long.
Data: <8ëÅ3Ò > 38 EB C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D233C73530, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001D233C7A000, 16 bytes long.
Data: < ëÅ3Ò > 10 EB C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D233C79B00, 16 bytes long.
Data: <èêÅ3Ò > E8 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D233C79CE0, 16 bytes long.
Data: <ÀêÅ3Ò > C0 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D233C79FB0, 16 bytes long.
Data: < êÅ3Ò > 98 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D233C79F60, 16 bytes long.
Data: <pêÅ3Ò > 70 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D233C79E70, 16 bytes long.
Data: <HêÅ3Ò > 48 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D233C73890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001D233C795B0, 16 bytes long.
Data: < êÅ3Ò > 20 EA C5 33 D2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D233C5EA20, 320 bytes long.
Data: <°•Ç3Ò 8Ç3Ò > B0 95 C7 33 D2 01 00 00 90 38 C7 33 D2 01 00 00
{275} normal block at 0x000001D233C7A230, 16 bytes long.
Data: < §Ç3Ò > 10 A7 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D233C79A60, 16 bytes long.
Data: <è¦Ç3Ò > E8 A6 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D233C73F50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001D233C7A1E0, 16 bytes long.
Data: <À¦Ç3Ò > C0 A6 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D233C73D10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001D233C79C90, 16 bytes long.
Data: < ¦Ç3Ò > 08 A6 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D233C79A10, 16 bytes long.
Data: <à¥Ç3Ò > E0 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D233C796A0, 16 bytes long.
Data: <¸¥Ç3Ò > B8 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D233C79E20, 16 bytes long.
Data: < ¥Ç3Ò > 90 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D233C7A050, 16 bytes long.
Data: <h¥Ç3Ò > 68 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D233C799C0, 16 bytes long.
Data: <@¥Ç3Ò > 40 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D233C7A140, 16 bytes long.
Data: <@MÇ3Ò > 40 4D C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D233C74D40, 40 bytes long.
Data: <@¡Ç3Ò `¢“5Ò > 40 A1 C7 33 D2 01 00 00 60 A2 93 35 D2 01 00 00
{261} normal block at 0x000001D233C79DD0, 16 bytes long.
Data: < ¥Ç3Ò > 20 A5 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D233C79C40, 16 bytes long.
Data: <ø¤Ç3Ò > F8 A4 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D233C73410, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001D233C79650, 16 bytes long.
Data: <ФÇ3Ò > D0 A4 C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D233C7A4D0, 992 bytes long.
Data: <P–Ç3Ò 4Ç3Ò > 50 96 C7 33 D2 01 00 00 10 34 C7 33 D2 01 00 00
{93} normal block at 0x000001D233C73650, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001D233C71F80, 16 bytes long.
Data: <°MÇ3Ò > B0 4D C7 33 D2 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001D233C74DB0, 40 bytes long.
Data: < Ç3Ò P6Ç3Ò > 80 1F C7 33 D2 01 00 00 50 36 C7 33 D2 01 00 00
{70} normal block at 0x000001D233C712B0, 16 bytes long.
Data: < ê =÷ > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D233C718A0, 16 bytes long.
Data: <@é =÷ > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D233C71850, 16 bytes long.
Data: <øWŠ=÷ > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D233C71EE0, 16 bytes long.
Data: <ØWŠ=÷ > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D233C71A80, 16 bytes long.
Data: <P Š=÷ > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D233C71DA0, 16 bytes long.
Data: <0 Š=÷ > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D233C71B70, 16 bytes long.
Data: <à Š=÷ > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D233C71210, 16 bytes long.
Data: < Š=÷ > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D233C719E0, 16 bytes long.
Data: <p Š=÷ > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D233C71490, 16 bytes long.
Data: < À =÷ > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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