Task 38669528

Name test_476-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4882_0
Workunit 31611864
Created 25 Oct 2026, 14:49:21 UTC
Sent 25 Oct 2026, 14:49:24 UTC
Report deadline 30 Oct 2026, 14:49:24 UTC
Received 25 Oct 2026, 16:56:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 24 min 25 sec
CPU time 20 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.17 MB
Peak swap size 3.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:33:40 (29252): wrapper (7.9.26016): starting
23:33:40 (29252): 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
23:33:41 (29252): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:33:41 (29252): 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: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', TimeoutError('_ssl.c:989: The handshake operation timed out'))': /simple/atom-openmm/
  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
23:56:37 (29252): C:/Windows/system32/cmd.exe exited; CPU time 1255.453125
23:56:37 (29252): 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: 25824813 bytes.
Dumping objects ->
{3835168} normal block at 0x000002A32F46D9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000002A32D786A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000002A32D7868E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x000002A32D786870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x000002A32D786790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x000002A32F4BA670, 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) : {3835080} normal block at 0x000002A32D77F950, 8 bytes long.
 Data: <  &#191;-&#163;   > 00 00 BF 2D A3 02 00 00 
{3833939} normal block at 0x000002A32D77FEF0, 8 bytes long.
 Data: <p_Q/&#163;   > 70 5F 51 2F A3 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002A32D77E7D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A32D776D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000002A32D7873A0, 16 bytes long.
 Data: < qx-&#163;           > 18 71 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A32D7881B0, 16 bytes long.
 Data: <&#240;px-&#163;           > F0 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A32D784FD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000002A32D787990, 16 bytes long.
 Data: <&#200;px-&#163;           > C8 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A32D787670, 16 bytes long.
 Data: <&#160;px-&#163;           > A0 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A32D787260, 16 bytes long.
 Data: <xpx-&#163;           > 78 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A32D7878A0, 16 bytes long.
 Data: <Ppx-&#163;           > 50 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A32D786560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000002A32D7877B0, 16 bytes long.
 Data: <(&#236;w-&#163;           > 28 EC 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A32D785270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000002A32D787D00, 16 bytes long.
 Data: < &#236;w-&#163;           > 00 EC 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A32D787940, 16 bytes long.
 Data: <&#216;&#235;w-&#163;           > D8 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A32D7880C0, 16 bytes long.
 Data: <&#176;&#235;w-&#163;           > B0 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A32D787D50, 16 bytes long.
 Data: < &#235;w-&#163;           > 88 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A32D7873F0, 16 bytes long.
 Data: <`&#235;w-&#163;           > 60 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A32D7875D0, 16 bytes long.
 Data: <8&#235;w-&#163;           > 38 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A32D784D30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000002A32D787F30, 16 bytes long.
 Data: < &#235;w-&#163;           > 10 EB 77 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A32D77EB10, 320 bytes long.
 Data: <0 x-&#163;   0Mx-&#163;   > 30 7F 78 2D A3 02 00 00 30 4D 78 2D A3 02 00 00 
{265} normal block at 0x000002A32D787EE0, 16 bytes long.
 Data: <0px-&#163;           > 30 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A32D787BC0, 16 bytes long.
 Data: < px-&#163;           > 08 70 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A32D7848B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000002A32D787300, 16 bytes long.
 Data: <&#224;ox-&#163;           > E0 6F 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A32D7852D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000002A32D787C60, 16 bytes long.
 Data: <(ox-&#163;           > 28 6F 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A32D788070, 16 bytes long.
 Data: < ox-&#163;           > 00 6F 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A32D787F80, 16 bytes long.
 Data: <&#216;nx-&#163;           > D8 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A32D787E90, 16 bytes long.
 Data: <&#176;nx-&#163;           > B0 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A32D77F4A0, 16 bytes long.
 Data: < nx-&#163;           > 88 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002A32D77F450, 16 bytes long.
 Data: <`nx-&#163;           > 60 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A32D77F040, 16 bytes long.
 Data: <Pix-&#163;           > 50 69 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002A32D786950, 40 bytes long.
 Data: <@&#240;w-&#163;   p&#166;K/&#163;   > 40 F0 77 2D A3 02 00 00 70 A6 4B 2F A3 02 00 00 
{251} normal block at 0x000002A32D77FD10, 16 bytes long.
 Data: <@nx-&#163;           > 40 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A32D77F1D0, 16 bytes long.
 Data: < nx-&#163;           > 18 6E 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002A32D784850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002A32D77FE50, 16 bytes long.
 Data: <&#240;mx-&#163;           > F0 6D 78 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000002A32D786DF0, 992 bytes long.
 Data: <P&#254;w-&#163;   PHx-&#163;   > 50 FE 77 2D A3 02 00 00 50 48 78 2D A3 02 00 00 
{83} normal block at 0x000002A32D7849D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002A32D77F770, 16 bytes long.
 Data: <@&#237;v-&#163;           > 40 ED 76 2D A3 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002A32D76ED40, 40 bytes long.
 Data: <p&#247;w-&#163;   &#208;Ix-&#163;   > 70 F7 77 2D A3 02 00 00 D0 49 78 2D A3 02 00 00 
{60} normal block at 0x000002A32D77FC20, 16 bytes long.
 Data: <&#128;&#234;&#146;&#197;&#246;           > 80 EA 92 C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A32D77F0E0, 16 bytes long.
 Data: <@&#233;&#146;&#197;&#246;           > 40 E9 92 C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A32D77F860, 16 bytes long.
 Data: <&#248;W&#143;&#197;&#246;           > F8 57 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A32D77FB80, 16 bytes long.
 Data: <&#216;W&#143;&#197;&#246;           > D8 57 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A32D77F4F0, 16 bytes long.
 Data: <P &#143;&#197;&#246;           > 50 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A32D77FF40, 16 bytes long.
 Data: <0 &#143;&#197;&#246;           > 30 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A32D77F590, 16 bytes long.
 Data: <&#224; &#143;&#197;&#246;           > E0 02 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002A32D77F9A0, 16 bytes long.
 Data: <  &#143;&#197;&#246;           > 10 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002A32D77F680, 16 bytes long.
 Data: <p &#143;&#197;&#246;           > 70 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002A32D77F2C0, 16 bytes long.
 Data: < &#192;&#141;&#197;&#246;           > 18 C0 8D C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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