Task 38648461
| Name | test_103-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND5403_0 |
| Workunit | 31593162 |
| Created | 23 Oct 2026, 20:42:05 UTC |
| Sent | 23 Oct 2026, 21:01:44 UTC |
| Report deadline | 28 Oct 2026, 21:01:44 UTC |
| Received | 23 Oct 2026, 23:38:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 615524 |
| Run time | 1 hours 46 min 55 sec |
| CPU time | 1 hours 44 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,238.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 673.77 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
06:48:59 (39424): wrapper (7.9.26016): starting
06:48:59 (39424): 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
06:49:02 (39424): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:49:02 (39424): 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 'D:\BOINC\slots\12\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 'D:\BOINC\slots\12\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
08:34:21 (39424): C:/Windows/system32/cmd.exe exited; CPU time 6263.375000
08:34:21 (39424): 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: 138417133 bytes.
Dumping objects ->
{3835350} normal block at 0x000002A8BF1C1560, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835339} normal block at 0x000002A8BF302A40, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835328} normal block at 0x000002A8BF301FC0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835317} normal block at 0x000002A8BF301DE0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835306} normal block at 0x000002A8BF302F80, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835275} normal block at 0x000002A8BF1C14F0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835262} normal block at 0x000002A8BD305EA0, 8 bytes long.
Data: < ξ¨ > 00 00 CE BE A8 02 00 00
{3834045} normal block at 0x000002A8BD306120, 8 bytes long.
Data: < Y0¿¨ > 00 59 30 BF A8 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002A8BD3110B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A8BD311FF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002A8BD312AF0, 16 bytes long.
Data: <Ø31½¨ > D8 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A8BD312AA0, 16 bytes long.
Data: <°31½¨ > B0 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A8BD30C160, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002A8BD3125F0, 16 bytes long.
Data: < 31½¨ > 88 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A8BD3128C0, 16 bytes long.
Data: <`31½¨ > 60 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A8BD312910, 16 bytes long.
Data: <831½¨ > 38 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A8BD3124B0, 16 bytes long.
Data: < 31½¨ > 10 33 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A8BD30A8E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002A8BD312A50, 16 bytes long.
Data: < 1½¨ > 88 1F 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A8BD30C0A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002A8BD312960, 16 bytes long.
Data: <` 1½¨ > 60 1F 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A8BD312EB0, 16 bytes long.
Data: <8 1½¨ > 38 1F 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A8BD312E60, 16 bytes long.
Data: < 1½¨ > 10 1F 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A8BD3120F0, 16 bytes long.
Data: < 1½¨ > E8 1E 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A8BD312370, 16 bytes long.
Data: <À 1½¨ > C0 1E 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A8BD312460, 16 bytes long.
Data: < 1½¨ > 98 1E 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A8BD30C580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002A8BD312DC0, 16 bytes long.
Data: <p 1½¨ > 70 1E 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A8BD311E70, 320 bytes long.
Data: <À-1½¨ Å0½¨ > C0 2D 31 BD A8 02 00 00 80 C5 30 BD A8 02 00 00
{273} normal block at 0x000002A8BD312A00, 16 bytes long.
Data: < 21½¨ > F0 32 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A8BD3126E0, 16 bytes long.
Data: <È21½¨ > C8 32 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A8BD30C520, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002A8BD312190, 16 bytes long.
Data: < 21½¨ > A0 32 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A8BD30BC20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002A8BD312690, 16 bytes long.
Data: < 11½¨ > E8 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A8BD312320, 16 bytes long.
Data: <À11½¨ > C0 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A8BD312E10, 16 bytes long.
Data: < 11½¨ > 98 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A8BD3129B0, 16 bytes long.
Data: <p11½¨ > 70 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A8BD312D20, 16 bytes long.
Data: <H11½¨ > 48 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A8BD312CD0, 16 bytes long.
Data: < 11½¨ > 20 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A8BD312550, 16 bytes long.
Data: < §0½¨ > 20 A7 30 BD A8 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A8BD30A720, 40 bytes long.
Data: <P%1½¨ ¿¨ > 50 25 31 BD A8 02 00 00 F0 14 1C BF A8 02 00 00
{259} normal block at 0x000002A8BD312C80, 16 bytes long.
Data: < 11½¨ > 00 31 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A8BD312C30, 16 bytes long.
Data: <Ø01½¨ > D8 30 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002A8BD30BE60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002A8BD312500, 16 bytes long.
Data: <°01½¨ > B0 30 31 BD A8 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002A8BD3130B0, 992 bytes long.
Data: < %1½¨ `¾0½¨ > 00 25 31 BD A8 02 00 00 60 BE 30 BD A8 02 00 00
{91} normal block at 0x000002A8BD30BE00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002A8BD3063A0, 16 bytes long.
Data: <`¥0½¨ > 60 A5 30 BD A8 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002A8BD30A560, 40 bytes long.
Data: < c0½¨ ¾0½¨ > A0 63 30 BD A8 02 00 00 00 BE 30 BD A8 02 00 00
{66} normal block at 0x000002A8BD305900, 16 bytes long.
Data: < > 80 EA 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A8BD3061C0, 16 bytes long.
Data: <@ > 40 E9 19 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A8BD305950, 16 bytes long.
Data: < W > F8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A8BD305860, 16 bytes long.
Data: <ØW > D8 57 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A8BD3057C0, 16 bytes long.
Data: <P > 50 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A8BD306580, 16 bytes long.
Data: <0 > 30 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A8BD305BD0, 16 bytes long.
Data: < > E0 02 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A8BD306030, 16 bytes long.
Data: < > 10 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A8BD3064E0, 16 bytes long.
Data: <p > 70 04 16 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A8BD306080, 16 bytes long.
Data: < À > 18 C0 14 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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