Task 38677889
| Name | test_869-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4179_0 |
| Workunit | 31619743 |
| Created | 26 Oct 2026, 15:43:22 UTC |
| Sent | 26 Oct 2026, 15:43:24 UTC |
| Report deadline | 31 Oct 2026, 15:43:24 UTC |
| Received | 26 Oct 2026, 16:13:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 592657 |
| Run time | 27 min 52 sec |
| CPU time | 25 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.64 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:13 (59296): wrapper (7.9.26016): starting
11:46:13 (59296): 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
11:46:14 (59296): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:46:14 (59296): 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
12:12:56 (59296): C:/Windows/system32/cmd.exe exited; CPU time 1529.734375
12:12:56 (59296): 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: 46992867 bytes.
Dumping objects ->
{3835253} normal block at 0x00000196B0B60650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x00000196B0B60110, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x00000196B0B60B20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x00000196B0B60260, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x00000196B0B60730, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x00000196B0BDD050, 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) : {3835165} normal block at 0x00000196AEE8C840, 8 bytes long.
Data: < å®– > 00 00 E5 AE 96 01 00 00
{3833995} normal block at 0x00000196AEE8CF20, 8 bytes long.
Data: <@ëç®– > 40 EB E7 AE 96 01 00 00
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x00000196AEE88460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x00000196AEE7F8D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{313} normal block at 0x00000196AEE95870, 16 bytes long.
Data: <8cé®– > 38 63 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000196AEE95500, 16 bytes long.
Data: < cé®– > 10 63 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x00000196AEE8F300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{310} normal block at 0x00000196AEE95820, 16 bytes long.
Data: <èbé®– > E8 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000196AEE957D0, 16 bytes long.
Data: <Àbé®– > C0 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000196AEE95640, 16 bytes long.
Data: < bé®– > 98 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000196AEE95B40, 16 bytes long.
Data: <pbé®– > 70 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x00000196AEE8F7C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{305} normal block at 0x00000196AEE95F50, 16 bytes long.
Data: < Ùç®– > 98 D9 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000196AEE8EB20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{303} normal block at 0x00000196AEE954B0, 16 bytes long.
Data: <pÙç®– > 70 D9 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000196AEE95410, 16 bytes long.
Data: <HÙç®– > 48 D9 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000196AEE95140, 16 bytes long.
Data: < Ùç®– > 20 D9 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000196AEE95370, 16 bytes long.
Data: <øØç®– > F8 D8 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000196AEE955F0, 16 bytes long.
Data: <ÐØç®– > D0 D8 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000196AEE95780, 16 bytes long.
Data: <¨Øç®– > A8 D8 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000196AEE8E700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{295} normal block at 0x00000196AEE95460, 16 bytes long.
Data: < Øç®– > 80 D8 E7 AE 96 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000196AEE7D880, 320 bytes long.
Data: <`Té®– çè®– > 60 54 E9 AE 96 01 00 00 00 E7 E8 AE 96 01 00 00
{293} normal block at 0x00000196AEE953C0, 16 bytes long.
Data: <Pbé®– > 50 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000196AEE95730, 16 bytes long.
Data: <(bé®– > 28 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000196AEE8E9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{290} normal block at 0x00000196AEE95A50, 16 bytes long.
Data: < bé®– > 00 62 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000196AEE8E8E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{288} normal block at 0x00000196AEE95050, 16 bytes long.
Data: <Haé®– > 48 61 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000196AEE95190, 16 bytes long.
Data: < aé®– > 20 61 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000196AEE955A0, 16 bytes long.
Data: <ø`é®– > F8 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000196AEE95550, 16 bytes long.
Data: <Ð`é®– > D0 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000196AEE95230, 16 bytes long.
Data: <¨`é®– > A8 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000196AEE952D0, 16 bytes long.
Data: < `é®– > 80 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000196AEE95E10, 16 bytes long.
Data: <°ûè®– > B0 FB E8 AE 96 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000196AEE8FBB0, 40 bytes long.
Data: < ^é®– Pн°– > 10 5E E9 AE 96 01 00 00 50 D0 BD B0 96 01 00 00
{279} normal block at 0x00000196AEE95EB0, 16 bytes long.
Data: <``é®– > 60 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000196AEE95AA0, 16 bytes long.
Data: <8`é®– > 38 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000196AEE8F0C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{276} normal block at 0x00000196AEE95D20, 16 bytes long.
Data: < `é®– > 10 60 E9 AE 96 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000196AEE96010, 992 bytes long.
Data: < ]é®– Àðè®– > 20 5D E9 AE 96 01 00 00 C0 F0 E8 AE 96 01 00 00
{111} normal block at 0x00000196AEE8F1E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{110} normal block at 0x00000196AEE8CED0, 16 bytes long.
Data: <P÷è®– > 50 F7 E8 AE 96 01 00 00 00 00 00 00 00 00 00 00
{109} normal block at 0x00000196AEE8F750, 40 bytes long.
Data: <ÐÎè®– àñè®– > D0 CE E8 AE 96 01 00 00 E0 F1 E8 AE 96 01 00 00
{88} normal block at 0x00000196AEE8D240, 16 bytes long.
Data: < êÆÜö > 80 EA C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000196AEE8D1A0, 16 bytes long.
Data: <@éÆÜö > 40 E9 C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000196AEE8CA70, 16 bytes long.
Data: <øWÃÜö > F8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000196AEE8D060, 16 bytes long.
Data: <ØWÃÜö > D8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000196AEE8CA20, 16 bytes long.
Data: <P ÃÜö > 50 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000196AEE8D0B0, 16 bytes long.
Data: <0 ÃÜö > 30 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000196AEE8CD40, 16 bytes long.
Data: <à ÃÜö > E0 02 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000196AEE8D3D0, 16 bytes long.
Data: < ÃÜö > 10 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000196AEE8CE80, 16 bytes long.
Data: <p ÃÜö > 70 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000196AEE8C9D0, 16 bytes long.
Data: < ÀÁÜö > 18 C0 C1 DC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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